1-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)ethanone

C17H18O2 — CID 43337271

IUPAC1-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)c2cc(C)ccc2C)cc1
InChIInChI=1S/C17H18O2/c1-12-4-5-13(2)16(10-12)17(18)11-14-6-8-15(19-3)9-7-14/h4-10H,11H2,1-3H3
InChIKeyAMENWTWQRYLFKA-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.74
Rot. Bonds4

About 1-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)ethanone

1-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)ethanone (PubChem CID 43337271) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)ethanone
PubChem CID43337271
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name1-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)c2cc(C)ccc2C)cc1
InChIInChI=1S/C17H18O2/c1-12-4-5-13(2)16(10-12)17(18)11-14-6-8-15(19-3)9-7-14/h4-10H,11H2,1-3H3
InChIKeyAMENWTWQRYLFKA-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methoxy-5-methylphenyl)-2-(4-methoxyphenyl)ethanone
CID 58027389
1-(2-hydroxy-4-methoxyphenyl)-2-(6-methylnaphthalen-2-yl)ethanone
CID 86168500
1-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanone
CID 641829
1-(6-methoxynaphthalen-2-yl)-2-(4-methylphenyl)ethanone
CID 135061178
1-(3-chloro-5-methylphenyl)-2-(4-methoxyphenyl)ethanone
CID 81323732
1-(2-chloro-4-fluoro-5-methylphenyl)-2-(4-methoxyphenyl)ethanone
CID 81045109
1-(2,5-dimethylphenyl)-2-(4-methylphenoxy)ethanone
CID 43413063
1-[(2,5-dimethylbenzoyl)amino]-3-[(4-methoxyphenyl)methyl]thiourea
CID 9478965
1-(2-methoxy-5-methylphenyl)-3-(4-methoxyphenyl)propan-2-one
CID 62159649
1-(2,5-dichlorothiophen-3-yl)-2-(4-methoxyphenyl)ethanone
CID 43167322
2-[2-(2,5-dimethylphenyl)-2-oxoethoxy]-4-methoxybenzamide
CID 47014341
N-[(2,5-dimethylphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide
CID 916544

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)ethanone?
The IUPAC name of 1-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)ethanone (CID 43337271) is 1-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)ethanone?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)ethanone is COc1ccc(CC(=O)c2cc(C)ccc2C)cc1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)ethanone?
The InChIKey is AMENWTWQRYLFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-12-4-5-13(2)16(10-12)17(18)11-14-6-8-15(19-3)9-7-14/h4-10H,11H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)ethanone?
1-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)ethanone has a molecular weight of 254.33 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 43337271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).