1-[3-ethenyl-4-(hydroxymethyl)phenyl]ethanone

C11H12O2 — CID 130130966

IUPAC1-[3-ethenyl-4-(hydroxymethyl)phenyl]ethanone
SMILESC=Cc1cc(C(C)=O)ccc1CO
InChIInChI=1S/C11H12O2/c1-3-9-6-10(8(2)13)4-5-11(9)7-12/h3-6,12H,1,7H2,2H3
InChIKeySYDLRJPWOAZARY-UHFFFAOYSA-N
MW176.21 g/mol
LogP2.02
Rot. Bonds3

About 1-[3-ethenyl-4-(hydroxymethyl)phenyl]ethanone

1-[3-ethenyl-4-(hydroxymethyl)phenyl]ethanone (PubChem CID 130130966) has the molecular formula C11H12O2 and a molecular weight of 176.21 g/mol. Its IUPAC name is 1-[3-ethenyl-4-(hydroxymethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-ethenyl-4-(hydroxymethyl)phenyl]ethanone
PubChem CID130130966
Molecular FormulaC11H12O2
Molecular Weight176.21 g/mol
Exact Mass176.08
IUPAC Name1-[3-ethenyl-4-(hydroxymethyl)phenyl]ethanone
SMILESC=Cc1cc(C(C)=O)ccc1CO
InChIInChI=1S/C11H12O2/c1-3-9-6-10(8(2)13)4-5-11(9)7-12/h3-6,12H,1,7H2,2H3
InChIKeySYDLRJPWOAZARY-UHFFFAOYSA-N
XLogP2.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-amino-3-ethenylphenyl)ethanone
CID 71501022
(2-ethenyl-4-fluorophenyl)methanol
CID 118307012
1-[3-hydroxy-4-(hydroxymethyl)phenyl]ethanone
CID 90368486
1-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]ethanone
CID 143306088
1-[4-bromo-3-(hydroxymethyl)phenyl]ethanone
CID 118573514
1-[3-bromo-4-(hydroxymethyl)phenyl]ethanone;dibutoxy(ethenyl)borane;1-[3-ethenyl-4-(hydroxymethyl)phenyl]ethanone;oxolan-2-ol
CID 162139030
1-(6-ethenylnaphthalen-2-yl)ethanone
CID 139900374
2,5-diacetylbenzaldehyde
CID 143109306
1-[3-(hydroxymethyl)-4-methoxyphenyl]ethanone
CID 4689851
1-(4-methyl-3-prop-2-enylphenyl)ethanone
CID 143718324
1-[3-[3-(hydroxymethyl)-4-methylphenyl]phenyl]ethanone
CID 144853232
1-(3-but-3-enyl-4-butylphenyl)ethanone
CID 130327544

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethenyl-4-(hydroxymethyl)phenyl]ethanone?
The IUPAC name of 1-[3-ethenyl-4-(hydroxymethyl)phenyl]ethanone (CID 130130966) is 1-[3-ethenyl-4-(hydroxymethyl)phenyl]ethanone.
What is the SMILES notation for 1-[3-ethenyl-4-(hydroxymethyl)phenyl]ethanone?
The canonical SMILES for 1-[3-ethenyl-4-(hydroxymethyl)phenyl]ethanone is C=Cc1cc(C(C)=O)ccc1CO.
What is the InChIKey of 1-[3-ethenyl-4-(hydroxymethyl)phenyl]ethanone?
The InChIKey is SYDLRJPWOAZARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-3-9-6-10(8(2)13)4-5-11(9)7-12/h3-6,12H,1,7H2,2H3.
What are the key properties of 1-[3-ethenyl-4-(hydroxymethyl)phenyl]ethanone?
1-[3-ethenyl-4-(hydroxymethyl)phenyl]ethanone has a molecular weight of 176.21 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethenyl-4-(hydroxymethyl)phenyl]ethanone is sourced from PubChem (CID 130130966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).