Home > Compound List > Compound details
120368-15-2 molecular structure
click picture or here to close

{2-[(2-methylprop-2-en-1-yl)oxy]phenyl}methanol

ChemBase ID: 312336
Molecular Formular: C11H14O2
Molecular Mass: 178.22766
Monoisotopic Mass: 178.09937969
SMILES and InChIs

SMILES:
c1(c(OCC(=C)C)cccc1)CO
Canonical SMILES:
OCc1ccccc1OCC(=C)C
InChI:
InChI=1S/C11H14O2/c1-9(2)8-13-11-6-4-3-5-10(11)7-12/h3-6,12H,1,7-8H2,2H3
InChIKey:
HFMKOOQASWJEIH-UHFFFAOYSA-N

Cite this record

CBID:312336 http://www.chembase.cn/molecule-312336.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
{2-[(2-methylprop-2-en-1-yl)oxy]phenyl}methanol
IUPAC Traditional name
{2-[(2-methylprop-2-en-1-yl)oxy]phenyl}methanol
Synonyms
{2-[(2-methyl-2-propen-1-yl)oxy]phenyl}methanol
CAS Number
120368-15-2
MDL Number
MFCD08753010

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 9070765 external link Add to cart
Data Source Data ID Price
ChemBridge
9070765 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.022836  LogD (pH = 7.4) 2.022836 
Log P 2.022836  Molar Refractivity 52.7818 cm3
Polarizability 20.588537 Å3 Polar Surface Area 29.46 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

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