Home > Compound List > Compound details
34168-56-4 molecular structure
click picture or here to close

(2R,4S)-4-hydroxy-2-(3-methylbut-2-en-1-yl)-1,2,3,4-tetrahydronaphthalen-1-one

ChemBase ID: 305190
Molecular Formular: C15H18O2
Molecular Mass: 230.30222
Monoisotopic Mass: 230.13067982
SMILES and InChIs

SMILES:
c1ccc2c(c1)[C@H](C[C@H](C2=O)CC=C(C)C)O
Canonical SMILES:
CC(=CC[C@@H]1C[C@H](O)c2c(C1=O)cccc2)C
InChI:
InChI=1S/C15H18O2/c1-10(2)7-8-11-9-14(16)12-5-3-4-6-13(12)15(11)17/h3-7,11,14,16H,8-9H2,1-2H3/t11-,14+/m1/s1
InChIKey:
BTQXIESSQVRLCV-RISCZKNCSA-N

Cite this record

CBID:305190 http://www.chembase.cn/molecule-305190.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R,4S)-4-hydroxy-2-(3-methylbut-2-en-1-yl)-1,2,3,4-tetrahydronaphthalen-1-one
IUPAC Traditional name
(2R,4S)-4-hydroxy-2-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H-naphthalen-1-one
Synonyms
Catalponol
CAS Number
34168-56-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
BioBioPha BBP01618
Data Source Data ID Price
BioBioPha
BBP01618 Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.229219  H Acceptors
H Donor LogD (pH = 5.5) 2.8084455 
LogD (pH = 7.4) 2.8084455  Log P 2.8084455 
Molar Refractivity 69.6183 cm3 Polarizability 26.603464 Å3
Polar Surface Area 37.3 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Bioassay(PubChem)
Apperance
Oil 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