2-methoxy-2-(2-methylphenyl)-1-phenylethanone

C16H16O2 — CID 71321553

IUPAC2-methoxy-2-(2-methylphenyl)-1-phenylethanone
SMILESCOC(C(=O)c1ccccc1)c1ccccc1C
InChIInChI=1S/C16H16O2/c1-12-8-6-7-11-14(12)16(18-2)15(17)13-9-4-3-5-10-13/h3-11,16H,1-2H3
InChIKeyVWSQNWMJBOHOFJ-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.57
Rot. Bonds4

About 2-methoxy-2-(2-methylphenyl)-1-phenylethanone

2-methoxy-2-(2-methylphenyl)-1-phenylethanone (PubChem CID 71321553) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-methoxy-2-(2-methylphenyl)-1-phenylethanone.

Molecular Properties

Compound Name2-methoxy-2-(2-methylphenyl)-1-phenylethanone
PubChem CID71321553
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name2-methoxy-2-(2-methylphenyl)-1-phenylethanone
SMILESCOC(C(=O)c1ccccc1)c1ccccc1C
InChIInChI=1S/C16H16O2/c1-12-8-6-7-11-14(12)16(18-2)15(17)13-9-4-3-5-10-13/h3-11,16H,1-2H3
InChIKeyVWSQNWMJBOHOFJ-UHFFFAOYSA-N
XLogP3.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-1,2-diphenylethanone;1-phenylethanone
CID 159117865
2-[(2-methylphenyl)-phenylmethyl]-1,3-diphenylpropane-1,3-dione
CID 102532176
2-(2-fluoro-3-methylphenyl)-2-methoxyacetic acid
CID 130877921
2-(difluoromethoxy)-2-(2-methylphenyl)acetic acid
CID 84723828
2-(dimethoxymethyl)-1,3-diphenylpropane-1,3-dione
CID 641430
2-(2-hydroxyethoxy)-2-(2-methylphenyl)acetic acid
CID 83223513
methyl (2S)-2-acetyloxy-2-(2-methylphenyl)acetate
CID 125477072
[1-(2-methoxyphenyl)-2-oxo-2-phenylethyl] dimethyl phosphate
CID 46198272
3,3-dimethoxy-2-methyl-1-phenylpropan-1-one
CID 12709072
dimethyl 2-(2-methylphenyl)propanedioate
CID 11276084
1-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-propan-2-ylurea
CID 97417874
acetic acid;(2-methylphenyl)methanediol
CID 71361235

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-(2-methylphenyl)-1-phenylethanone?
The IUPAC name of 2-methoxy-2-(2-methylphenyl)-1-phenylethanone (CID 71321553) is 2-methoxy-2-(2-methylphenyl)-1-phenylethanone.
What is the SMILES notation for 2-methoxy-2-(2-methylphenyl)-1-phenylethanone?
The canonical SMILES for 2-methoxy-2-(2-methylphenyl)-1-phenylethanone is COC(C(=O)c1ccccc1)c1ccccc1C.
What is the InChIKey of 2-methoxy-2-(2-methylphenyl)-1-phenylethanone?
The InChIKey is VWSQNWMJBOHOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-12-8-6-7-11-14(12)16(18-2)15(17)13-9-4-3-5-10-13/h3-11,16H,1-2H3.
What are the key properties of 2-methoxy-2-(2-methylphenyl)-1-phenylethanone?
2-methoxy-2-(2-methylphenyl)-1-phenylethanone has a molecular weight of 240.30 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-(2-methylphenyl)-1-phenylethanone is sourced from PubChem (CID 71321553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).