[4-(1-methoxyprop-2-enyl)phenyl]-phenylmethanone

C17H16O2 — CID 67434862

IUPAC[4-(1-methoxyprop-2-enyl)phenyl]-phenylmethanone
SMILESC=CC(OC)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C17H16O2/c1-3-16(19-2)13-9-11-15(12-10-13)17(18)14-7-5-4-6-8-14/h3-12,16H,1H2,2H3
InChIKeyGXEXAIIZKGPOBX-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.79
Rot. Bonds5

About [4-(1-methoxyprop-2-enyl)phenyl]-phenylmethanone

[4-(1-methoxyprop-2-enyl)phenyl]-phenylmethanone (PubChem CID 67434862) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is [4-(1-methoxyprop-2-enyl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-(1-methoxyprop-2-enyl)phenyl]-phenylmethanone
PubChem CID67434862
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name[4-(1-methoxyprop-2-enyl)phenyl]-phenylmethanone
SMILESC=CC(OC)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C17H16O2/c1-3-16(19-2)13-9-11-15(12-10-13)17(18)14-7-5-4-6-8-14/h3-12,16H,1H2,2H3
InChIKeyGXEXAIIZKGPOBX-UHFFFAOYSA-N
XLogP3.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-methoxyprop-2-enylbenzene
CID 11029990
(4-benzoylphenyl)-phenylmethanone;ethane;methoxymethane
CID 91498275
1-methoxy-4-(1-methoxyprop-2-enyl)benzene
CID 14594939
chloroethene;diphenylmethanone
CID 159955636
phenyl-[4-(1-tellanylethyl)phenyl]methanone
CID 174989936
diphenylmethanone;ethane
CID 158014879
diphenylmethanone
CID 3102
(4-methylphenyl)-phenylmethanone;prop-2-enoic acid
CID 175172073
benzene;tetrakis(diphenylmethanone);ethane;methoxymethane;tris(propan-2-one)
CID 160674424
1-(1-methoxyprop-2-enyl)-4-(trifluoromethyl)benzene
CID 71422189
2-(4-benzoylphenyl)butanoic acid
CID 22621594
methyl (2E)-2-(1-phenylprop-2-enoxyimino)acetate
CID 11195345

Frequently Asked Questions

What is the IUPAC name of [4-(1-methoxyprop-2-enyl)phenyl]-phenylmethanone?
The IUPAC name of [4-(1-methoxyprop-2-enyl)phenyl]-phenylmethanone (CID 67434862) is [4-(1-methoxyprop-2-enyl)phenyl]-phenylmethanone.
What is the SMILES notation for [4-(1-methoxyprop-2-enyl)phenyl]-phenylmethanone?
The canonical SMILES for [4-(1-methoxyprop-2-enyl)phenyl]-phenylmethanone is C=CC(OC)c1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of [4-(1-methoxyprop-2-enyl)phenyl]-phenylmethanone?
The InChIKey is GXEXAIIZKGPOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-3-16(19-2)13-9-11-15(12-10-13)17(18)14-7-5-4-6-8-14/h3-12,16H,1H2,2H3.
What are the key properties of [4-(1-methoxyprop-2-enyl)phenyl]-phenylmethanone?
[4-(1-methoxyprop-2-enyl)phenyl]-phenylmethanone has a molecular weight of 252.31 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methoxyprop-2-enyl)phenyl]-phenylmethanone is sourced from PubChem (CID 67434862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).