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

C17H18O2 — CID 61481684

IUPAC2-(2,5-dimethylphenyl)-1-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1C(=O)Cc1cc(C)ccc1C
InChIInChI=1S/C17H18O2/c1-12-8-9-13(2)14(10-12)11-16(18)15-6-4-5-7-17(15)19-3/h4-10H,11H2,1-3H3
InChIKeyKCSQIDXNSAXOED-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.74
Rot. Bonds4

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

2-(2,5-dimethylphenyl)-1-(2-methoxyphenyl)ethanone (PubChem CID 61481684) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-1-(2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-1-(2-methoxyphenyl)ethanone
PubChem CID61481684
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name2-(2,5-dimethylphenyl)-1-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1C(=O)Cc1cc(C)ccc1C
InChIInChI=1S/C17H18O2/c1-12-8-9-13(2)14(10-12)11-16(18)15-6-4-5-7-17(15)19-3/h4-10H,11H2,1-3H3
InChIKeyKCSQIDXNSAXOED-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

2-(2,5-dimethylphenyl)-1-(3-methoxy-4-methylphenyl)ethanone
CID 63527525
2-(2,5-dimethylphenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone
CID 116613314
1-(2,5-dimethylphenyl)-3-(2-methoxy-5-methylphenyl)propan-2-one
CID 114965749
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
1-(2,3-dichlorophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 63527350
1-(3-bromo-4-methoxyphenyl)-2-(2,5-dimethylphenyl)ethanone
CID 63490270
1-(4,5-dimethoxy-2-methylphenyl)-2-(2-methylphenyl)ethanone
CID 43626555
2-(5-fluoro-2-methylphenyl)-1-(2-fluorophenyl)ethanone
CID 105373215
2-(2-methoxyphenyl)-1-(6-methyl-1H-indol-3-yl)ethanone
CID 43163430
1-(4-bromo-2-methoxyphenyl)-2-(2-methylphenyl)ethanone
CID 113296084
1-[2-(2-methoxy-4-methylphenoxy)phenyl]propan-1-one
CID 115994697
2-[4-[2-(2-methoxyphenyl)-2-oxoethyl]phenyl]acetic acid
CID 158147821

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-1-(2-methoxyphenyl)ethanone?
The IUPAC name of 2-(2,5-dimethylphenyl)-1-(2-methoxyphenyl)ethanone (CID 61481684) is 2-(2,5-dimethylphenyl)-1-(2-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-1-(2-methoxyphenyl)ethanone?
The canonical SMILES for 2-(2,5-dimethylphenyl)-1-(2-methoxyphenyl)ethanone is COc1ccccc1C(=O)Cc1cc(C)ccc1C.
What is the InChIKey of 2-(2,5-dimethylphenyl)-1-(2-methoxyphenyl)ethanone?
The InChIKey is KCSQIDXNSAXOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-12-8-9-13(2)14(10-12)11-16(18)15-6-4-5-7-17(15)19-3/h4-10H,11H2,1-3H3.
What are the key properties of 2-(2,5-dimethylphenyl)-1-(2-methoxyphenyl)ethanone?
2-(2,5-dimethylphenyl)-1-(2-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 2-(2,5-dimethylphenyl)-1-(2-methoxyphenyl)ethanone is sourced from PubChem (CID 61481684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).