1-(2-propylphenyl)ethenol

C11H14O — CID 89240118

IUPAC1-(2-propylphenyl)ethenol
SMILESC=C(O)c1ccccc1CCC
InChIInChI=1S/C11H14O/c1-3-6-10-7-4-5-8-11(10)9(2)12/h4-5,7-8,12H,2-3,6H2,1H3
InChIKeyWRVGHIOWAKMQSF-UHFFFAOYSA-N
MW162.23 g/mol
LogP3.17
Rot. Bonds3

About 1-(2-propylphenyl)ethenol

1-(2-propylphenyl)ethenol (PubChem CID 89240118) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is 1-(2-propylphenyl)ethenol.

Molecular Properties

Compound Name1-(2-propylphenyl)ethenol
PubChem CID89240118
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name1-(2-propylphenyl)ethenol
SMILESC=C(O)c1ccccc1CCC
InChIInChI=1S/C11H14O/c1-3-6-10-7-4-5-8-11(10)9(2)12/h4-5,7-8,12H,2-3,6H2,1H3
InChIKeyWRVGHIOWAKMQSF-UHFFFAOYSA-N
XLogP3.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-bromo-1-(2-propylphenyl)ethanone
CID 22121427
1-[(3Z)-hexa-1,3,5-trien-2-yl]-2-propylbenzene
CID 145354359
2-methylidene-1-(2-propylphenyl)pentane-1,3-dione
CID 164569828
barium(2+);bis(2-propylbenzoate)
CID 101299930
carbonic acid;ethyl 2-propylbenzoate
CID 174721035
2-propanoylbenzoic acid;2-propylbenzoic acid
CID 159537259
1-butyl-2-(1-fluoroethenyl)benzene
CID 143939431
2-propylbenzohydrazide
CID 140653675
2-(2-propylphenyl)acetic acid
CID 46897017
methane;methyl 2-propylbenzoate
CID 167647144
1-(2-bromoethyl)-2-propylbenzene
CID 70218831
1-bromo-2-propylbenzene;formaldehyde
CID 174375700

Frequently Asked Questions

What is the IUPAC name of 1-(2-propylphenyl)ethenol?
The IUPAC name of 1-(2-propylphenyl)ethenol (CID 89240118) is 1-(2-propylphenyl)ethenol.
What is the SMILES notation for 1-(2-propylphenyl)ethenol?
The canonical SMILES for 1-(2-propylphenyl)ethenol is C=C(O)c1ccccc1CCC.
What is the InChIKey of 1-(2-propylphenyl)ethenol?
The InChIKey is WRVGHIOWAKMQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O/c1-3-6-10-7-4-5-8-11(10)9(2)12/h4-5,7-8,12H,2-3,6H2,1H3.
What are the key properties of 1-(2-propylphenyl)ethenol?
1-(2-propylphenyl)ethenol has a molecular weight of 162.23 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propylphenyl)ethenol is sourced from PubChem (CID 89240118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).