1-[2-[1-(2-methoxyphenyl)ethyl]phenyl]ethanone

C17H18O2 — CID 135058931

IUPAC1-[2-[1-(2-methoxyphenyl)ethyl]phenyl]ethanone
SMILESCOc1ccccc1C(C)c1ccccc1C(C)=O
InChIInChI=1S/C17H18O2/c1-12(15-9-6-7-11-17(15)19-3)14-8-4-5-10-16(14)13(2)18/h4-12H,1-3H3
InChIKeyKZBHQUFIVVGVAR-UHFFFAOYSA-N
MW254.33 g/mol
LogP4.05
Rot. Bonds4

About 1-[2-[1-(2-methoxyphenyl)ethyl]phenyl]ethanone

1-[2-[1-(2-methoxyphenyl)ethyl]phenyl]ethanone (PubChem CID 135058931) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[2-[1-(2-methoxyphenyl)ethyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[1-(2-methoxyphenyl)ethyl]phenyl]ethanone
PubChem CID135058931
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name1-[2-[1-(2-methoxyphenyl)ethyl]phenyl]ethanone
SMILESCOc1ccccc1C(C)c1ccccc1C(C)=O
InChIInChI=1S/C17H18O2/c1-12(15-9-6-7-11-17(15)19-3)14-8-4-5-10-16(14)13(2)18/h4-12H,1-3H3
InChIKeyKZBHQUFIVVGVAR-UHFFFAOYSA-N
XLogP4.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(1-methoxyethyl)phenyl]ethanone
CID 86011616
formaldehyde;bis(1-(2-methoxyphenyl)ethanone)
CID 174959963
1-[2-methoxy-6-(1-phenylethyl)phenyl]ethanone
CID 102035801
3-(2-acetylphenyl)butan-2-one
CID 171562891
dimethyl 2-(2-acetylphenyl)propanedioate
CID 102293568
propan-2-yl 3-(2-methoxyphenyl)butanoate
CID 10609854
2-methoxybenzoic acid;bis(propan-2-ol)
CID 130236181
(2S)-2-bromo-1-(2-methoxyphenyl)propan-1-one
CID 94723757
(2-acetylphenyl) methyl carbonate
CID 14493761
(2R)-2-bromo-1-(2-methoxyphenyl)propan-1-one
CID 94723758
methyl (2S)-2-(2-methoxyphenyl)propanoate
CID 12867082
1-[2-(difluoromethyl)-3-methoxyphenyl]ethanone
CID 84669251

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(2-methoxyphenyl)ethyl]phenyl]ethanone?
The IUPAC name of 1-[2-[1-(2-methoxyphenyl)ethyl]phenyl]ethanone (CID 135058931) is 1-[2-[1-(2-methoxyphenyl)ethyl]phenyl]ethanone.
What is the SMILES notation for 1-[2-[1-(2-methoxyphenyl)ethyl]phenyl]ethanone?
The canonical SMILES for 1-[2-[1-(2-methoxyphenyl)ethyl]phenyl]ethanone is COc1ccccc1C(C)c1ccccc1C(C)=O.
What is the InChIKey of 1-[2-[1-(2-methoxyphenyl)ethyl]phenyl]ethanone?
The InChIKey is KZBHQUFIVVGVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-12(15-9-6-7-11-17(15)19-3)14-8-4-5-10-16(14)13(2)18/h4-12H,1-3H3.
What are the key properties of 1-[2-[1-(2-methoxyphenyl)ethyl]phenyl]ethanone?
1-[2-[1-(2-methoxyphenyl)ethyl]phenyl]ethanone has a molecular weight of 254.33 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(2-methoxyphenyl)ethyl]phenyl]ethanone is sourced from PubChem (CID 135058931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).