2-benzyl-3-methoxy-1-phenylpropan-1-one

C17H18O2 — CID 177312202

IUPAC2-benzyl-3-methoxy-1-phenylpropan-1-one
SMILESCOCC(Cc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C17H18O2/c1-19-13-16(12-14-8-4-2-5-9-14)17(18)15-10-6-3-7-11-15/h2-11,16H,12-13H2,1H3
InChIKeyPNCBVGFUBVECEW-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.37
Rot. Bonds6

About 2-benzyl-3-methoxy-1-phenylpropan-1-one

2-benzyl-3-methoxy-1-phenylpropan-1-one (PubChem CID 177312202) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-benzyl-3-methoxy-1-phenylpropan-1-one.

Molecular Properties

Compound Name2-benzyl-3-methoxy-1-phenylpropan-1-one
PubChem CID177312202
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name2-benzyl-3-methoxy-1-phenylpropan-1-one
SMILESCOCC(Cc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C17H18O2/c1-19-13-16(12-14-8-4-2-5-9-14)17(18)15-10-6-3-7-11-15/h2-11,16H,12-13H2,1H3
InChIKeyPNCBVGFUBVECEW-UHFFFAOYSA-N
XLogP3.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-benzyl-3-(dimethylamino)-1-phenylpropan-1-one
CID 97356031
2,3-dimethoxy-1-phenylpropan-1-one
CID 90073170
(2S)-2-amino-3-methoxy-1-phenylpropan-1-one
CID 68527964
2-benzyl-1-phenylpent-4-yn-1-one
CID 101071946
4-methoxy-2,3-dimethyl-1-phenylbutan-1-one
CID 104845056
(2S)-2-methylsulfonyl-1,3-diphenylpropan-1-one
CID 135042830
(Z)-2-benzyl-1,4,5-triphenylpent-4-en-1-one
CID 164673773
2,3-bis[(4-methoxyphenyl)methyl]-1,4-diphenylbutane-1,4-dione
CID 14434324
butyl 2-benzyl-3-oxo-3-phenylpropanoate
CID 66554215
2-methoxyethyl (2R)-2-amino-3-phenylpropanoate
CID 104902257
2-(dimethylamino)-1,3-diphenylpropan-1-one;hydrochloride
CID 15945335
2-(2-methoxyethoxy)-3-phenylpropanoic acid
CID 10176890

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-methoxy-1-phenylpropan-1-one?
The IUPAC name of 2-benzyl-3-methoxy-1-phenylpropan-1-one (CID 177312202) is 2-benzyl-3-methoxy-1-phenylpropan-1-one.
What is the SMILES notation for 2-benzyl-3-methoxy-1-phenylpropan-1-one?
The canonical SMILES for 2-benzyl-3-methoxy-1-phenylpropan-1-one is COCC(Cc1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of 2-benzyl-3-methoxy-1-phenylpropan-1-one?
The InChIKey is PNCBVGFUBVECEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-19-13-16(12-14-8-4-2-5-9-14)17(18)15-10-6-3-7-11-15/h2-11,16H,12-13H2,1H3.
What are the key properties of 2-benzyl-3-methoxy-1-phenylpropan-1-one?
2-benzyl-3-methoxy-1-phenylpropan-1-one has a molecular weight of 254.33 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-methoxy-1-phenylpropan-1-one is sourced from PubChem (CID 177312202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).