1-(3,5-dimethylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone

C17H17FO2 — CID 114966135

IUPAC1-(3,5-dimethylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)c2cc(C)cc(C)c2)cc1F
InChIInChI=1S/C17H17FO2/c1-11-6-12(2)8-14(7-11)16(19)10-13-4-5-17(20-3)15(18)9-13/h4-9H,10H2,1-3H3
InChIKeyNEFDATUQYSWXRR-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.88
Rot. Bonds4

About 1-(3,5-dimethylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone

1-(3,5-dimethylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone (PubChem CID 114966135) has the molecular formula C17H17FO2 and a molecular weight of 272.32 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
PubChem CID114966135
Molecular FormulaC17H17FO2
Molecular Weight272.32 g/mol
Exact Mass272.12
IUPAC Name1-(3,5-dimethylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)c2cc(C)cc(C)c2)cc1F
InChIInChI=1S/C17H17FO2/c1-11-6-12(2)8-14(7-11)16(19)10-13-4-5-17(20-3)15(18)9-13/h4-9H,10H2,1-3H3
InChIKeyNEFDATUQYSWXRR-UHFFFAOYSA-N
XLogP3.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethoxyphenyl)-1-(3,5-dimethylphenyl)ethanone
CID 60919062
2-(3,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 62551978
1-(3-fluoro-4-methoxyphenyl)-2-(3-methylphenyl)ethanone
CID 62389398
2-(4-chloro-3-fluorophenyl)-1-(3,5-dimethylphenyl)ethanone
CID 107890556
1-(4-ethylsulfanylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 106847918
2-(3-chloro-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 103805212
1-(3-chloro-4-iodophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 103213975
1-(3-fluoro-4-methoxyphenyl)-3-hydroxypropan-2-one
CID 82282114
2-(3-fluoro-4-methoxyphenyl)-1-(6-methyl-2-pyridinyl)ethanone
CID 63553614
1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 115736498
1-(4-chloro-2,5-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 114966239
1-(3-fluoro-4-methoxyphenyl)-3-hydroxybutan-2-one
CID 103451541

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone?
The IUPAC name of 1-(3,5-dimethylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone (CID 114966135) is 1-(3,5-dimethylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone?
The canonical SMILES for 1-(3,5-dimethylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone is COc1ccc(CC(=O)c2cc(C)cc(C)c2)cc1F.
What is the InChIKey of 1-(3,5-dimethylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone?
The InChIKey is NEFDATUQYSWXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO2/c1-11-6-12(2)8-14(7-11)16(19)10-13-4-5-17(20-3)15(18)9-13/h4-9H,10H2,1-3H3.
What are the key properties of 1-(3,5-dimethylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone?
1-(3,5-dimethylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone has a molecular weight of 272.32 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone is sourced from PubChem (CID 114966135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).