1-(2,3-dimethoxyphenyl)-2-(4-methylphenyl)ethanone

C17H18O3 — CID 61079926

IUPAC1-(2,3-dimethoxyphenyl)-2-(4-methylphenyl)ethanone
SMILESCOc1cccc(C(=O)Cc2ccc(C)cc2)c1OC
InChIInChI=1S/C17H18O3/c1-12-7-9-13(10-8-12)11-15(18)14-5-4-6-16(19-2)17(14)20-3/h4-10H,11H2,1-3H3
InChIKeyYMICPSBDNQZAHV-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.44
Rot. Bonds5

About 1-(2,3-dimethoxyphenyl)-2-(4-methylphenyl)ethanone

1-(2,3-dimethoxyphenyl)-2-(4-methylphenyl)ethanone (PubChem CID 61079926) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-(2,3-dimethoxyphenyl)-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(2,3-dimethoxyphenyl)-2-(4-methylphenyl)ethanone
PubChem CID61079926
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name1-(2,3-dimethoxyphenyl)-2-(4-methylphenyl)ethanone
SMILESCOc1cccc(C(=O)Cc2ccc(C)cc2)c1OC
InChIInChI=1S/C17H18O3/c1-12-7-9-13(10-8-12)11-15(18)14-5-4-6-16(19-2)17(14)20-3/h4-10H,11H2,1-3H3
InChIKeyYMICPSBDNQZAHV-UHFFFAOYSA-N
XLogP3.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)ethanone
CID 82808065
2-(3,5-difluorophenyl)-1-(2,3-dimethoxyphenyl)ethanone
CID 105412160
2-phenyl-1-(2,3,4-trimethoxyphenyl)ethanone
CID 14284964
2-[4-[2-(2-methoxyphenyl)-2-oxoethyl]phenyl]acetic acid
CID 158147821
2,3-dimethoxy-N-[(4-methylphenyl)methoxy]benzamide
CID 4776419
2-(2,3-dichlorophenyl)-1-(2,3-dimethoxyphenyl)ethanone
CID 107311518
1-(2,3-dimethoxyphenyl)-2-(5-ethylthiophen-2-yl)ethanone
CID 105089222
(2,3-dimethoxyphenyl)-(2-methoxyphenyl)methanone
CID 67592746
1-(2-fluoro-3-methoxyphenyl)-3-(4-methylphenyl)propan-2-one
CID 104793411
1-(2,3-dimethoxyphenyl)-4-methoxybutan-1-one
CID 105135502
2-(2-bromo-4-fluorophenyl)-1-(2,3-dimethoxyphenyl)ethanone
CID 105089542
1-(2,3-dimethoxyphenyl)-3-methylsulfonylpropan-1-one
CID 114983891

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxyphenyl)-2-(4-methylphenyl)ethanone?
The IUPAC name of 1-(2,3-dimethoxyphenyl)-2-(4-methylphenyl)ethanone (CID 61079926) is 1-(2,3-dimethoxyphenyl)-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 1-(2,3-dimethoxyphenyl)-2-(4-methylphenyl)ethanone?
The canonical SMILES for 1-(2,3-dimethoxyphenyl)-2-(4-methylphenyl)ethanone is COc1cccc(C(=O)Cc2ccc(C)cc2)c1OC.
What is the InChIKey of 1-(2,3-dimethoxyphenyl)-2-(4-methylphenyl)ethanone?
The InChIKey is YMICPSBDNQZAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-12-7-9-13(10-8-12)11-15(18)14-5-4-6-16(19-2)17(14)20-3/h4-10H,11H2,1-3H3.
What are the key properties of 1-(2,3-dimethoxyphenyl)-2-(4-methylphenyl)ethanone?
1-(2,3-dimethoxyphenyl)-2-(4-methylphenyl)ethanone has a molecular weight of 270.33 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethoxyphenyl)-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 61079926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).