Home > Compound List > Compound details
1210-34-0 molecular structure
click picture or here to close

tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-7-ol

ChemBase ID: 295813
Molecular Formular: C15H14O
Molecular Mass: 210.27106
Monoisotopic Mass: 210.10446507
SMILES and InChIs

SMILES:
c1ccc2c(c1)CCc1c(cccc1O)C2
Canonical SMILES:
Oc1cccc2c1CCc1c(C2)cccc1
InChI:
InChI=1S/C15H14O/c16-15-7-3-6-13-10-12-5-2-1-4-11(12)8-9-14(13)15/h1-7,16H,8-10H2
InChIKey:
FAAPTPDNTLVVNO-UHFFFAOYSA-N

Cite this record

CBID:295813 http://www.chembase.cn/molecule-295813.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-7-ol
IUPAC Traditional name
tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-7-ol
Synonyms
10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-ol
Dibenzosuberol
二苯并环庚醇
CAS Number
1210-34-0
EC Number
214-911-8
MDL Number
MFCD00003593
Beilstein Number
520430
PubChem SID
180681344
PubChem CID
7567859

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Alfa Aesar
B22354 external link Add to cart Please log in.
Data Source Data ID
PubChem 7567859 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.304013  H Acceptors
H Donor LogD (pH = 5.5) 4.3245845 
LogD (pH = 7.4) 4.324053  Log P 4.324591 
Molar Refractivity 66.0563 cm3 Polarizability 25.126451 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
90-94°C expand Show data source
Boiling Point
166-169°C/1mm expand Show data source
RTECS
HP1100000 expand Show data source
TSCA Listed
expand Show data source
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle