2-hydroxy-1-(4-methoxy-3-methylphenyl)-2-phenylethanone

C16H16O3 — CID 129094735

IUPAC2-hydroxy-1-(4-methoxy-3-methylphenyl)-2-phenylethanone
SMILESCOc1ccc(C(=O)C(O)c2ccccc2)cc1C
InChIInChI=1S/C16H16O3/c1-11-10-13(8-9-14(11)19-2)16(18)15(17)12-6-4-3-5-7-12/h3-10,15,17H,1-2H3
InChIKeyZWOMDVWYJDCYBS-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.92
Rot. Bonds4

About 2-hydroxy-1-(4-methoxy-3-methylphenyl)-2-phenylethanone

2-hydroxy-1-(4-methoxy-3-methylphenyl)-2-phenylethanone (PubChem CID 129094735) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-hydroxy-1-(4-methoxy-3-methylphenyl)-2-phenylethanone.

Molecular Properties

Compound Name2-hydroxy-1-(4-methoxy-3-methylphenyl)-2-phenylethanone
PubChem CID129094735
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name2-hydroxy-1-(4-methoxy-3-methylphenyl)-2-phenylethanone
SMILESCOc1ccc(C(=O)C(O)c2ccccc2)cc1C
InChIInChI=1S/C16H16O3/c1-11-10-13(8-9-14(11)19-2)16(18)15(17)12-6-4-3-5-7-12/h3-10,15,17H,1-2H3
InChIKeyZWOMDVWYJDCYBS-UHFFFAOYSA-N
XLogP2.92
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-2-(4-methoxy-3-methylphenyl)-1-phenylethanone
CID 129094734
4-methoxy-3-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 40950006
4-methoxy-3-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 100771245
4-(2-methoxyphenoxy)-3-methylbenzoic acid
CID 62120451
3,3,3-trifluoro-1-(4-methoxy-3-methylphenyl)-2-(trifluoromethyl)propan-1-one
CID 103309388
2-bromo-1-(4-methoxy-3-methylphenyl)-3-methylbutan-1-one
CID 82254707
methane;1-methoxy-2-methylbenzene;1-(4-methoxy-3-methylphenyl)-2-methylpropan-1-one;2-methylpropanoic acid;2-methylpropanoyl 2-methylpropanoate
CID 159145195
2-hydroxy-1,2-diphenylethanone
CID 159399559
1-(4-methoxy-3-methylphenyl)-2-phenylbutan-1-ol
CID 61082848
2-methoxy-1-(4-methoxy-2,5-dimethylphenyl)-2-phenylethanone
CID 116751452
1-(2-fluoro-3-methoxyphenyl)-2-hydroxy-2-phenylethanone
CID 103458248
N-benzyl-4-methoxy-3-methylbenzamide
CID 17018002

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(4-methoxy-3-methylphenyl)-2-phenylethanone?
The IUPAC name of 2-hydroxy-1-(4-methoxy-3-methylphenyl)-2-phenylethanone (CID 129094735) is 2-hydroxy-1-(4-methoxy-3-methylphenyl)-2-phenylethanone.
What is the SMILES notation for 2-hydroxy-1-(4-methoxy-3-methylphenyl)-2-phenylethanone?
The canonical SMILES for 2-hydroxy-1-(4-methoxy-3-methylphenyl)-2-phenylethanone is COc1ccc(C(=O)C(O)c2ccccc2)cc1C.
What is the InChIKey of 2-hydroxy-1-(4-methoxy-3-methylphenyl)-2-phenylethanone?
The InChIKey is ZWOMDVWYJDCYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-11-10-13(8-9-14(11)19-2)16(18)15(17)12-6-4-3-5-7-12/h3-10,15,17H,1-2H3.
What are the key properties of 2-hydroxy-1-(4-methoxy-3-methylphenyl)-2-phenylethanone?
2-hydroxy-1-(4-methoxy-3-methylphenyl)-2-phenylethanone has a molecular weight of 256.30 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(4-methoxy-3-methylphenyl)-2-phenylethanone is sourced from PubChem (CID 129094735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).