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

C17H17FO2 — CID 62551978

IUPAC2-(3,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2ccc(C)c(C)c2)cc1F
InChIInChI=1S/C17H17FO2/c1-11-4-5-13(8-12(11)2)9-16(19)14-6-7-17(20-3)15(18)10-14/h4-8,10H,9H2,1-3H3
InChIKeyKUALMUYBHNITHM-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.88
Rot. Bonds4

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

2-(3,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone (PubChem CID 62551978) has the molecular formula C17H17FO2 and a molecular weight of 272.32 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
PubChem CID62551978
Molecular FormulaC17H17FO2
Molecular Weight272.32 g/mol
Exact Mass272.12
IUPAC Name2-(3,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2ccc(C)c(C)c2)cc1F
InChIInChI=1S/C17H17FO2/c1-11-4-5-13(8-12(11)2)9-16(19)14-6-7-17(20-3)15(18)10-14/h4-8,10H,9H2,1-3H3
InChIKeyKUALMUYBHNITHM-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-(3,4-dimethylphenyl)ethanone
CID 43339993
1-(3-fluoro-4-methoxyphenyl)-2-(3-methylphenyl)ethanone
CID 62389398
2-(3-chloro-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 103805212
1-(3,5-dimethylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 114966135
2-(3,4-dimethylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanone
CID 65299275
1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 115736498
2-(4-iodophenyl)-1-(3-methoxy-4-methylphenyl)ethanone
CID 114974195
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 4-(3,4-dimethylphenyl)-4-oxobutanoate
CID 55406579
1-(3-chloro-4-iodophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 103213975
1-(3-fluoro-4-methoxyphenyl)-3-(2-methylphenyl)propan-1-one
CID 91755550
1-(4-ethylsulfanylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 106847918
3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]benzenesulfonamide
CID 57150178

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone?
The IUPAC name of 2-(3,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone (CID 62551978) is 2-(3,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone?
The canonical SMILES for 2-(3,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone is COc1ccc(C(=O)Cc2ccc(C)c(C)c2)cc1F.
What is the InChIKey of 2-(3,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone?
The InChIKey is KUALMUYBHNITHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO2/c1-11-4-5-13(8-12(11)2)9-16(19)14-6-7-17(20-3)15(18)10-14/h4-8,10H,9H2,1-3H3.
What are the key properties of 2-(3,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone?
2-(3,4-dimethylphenyl)-1-(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 2-(3,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone is sourced from PubChem (CID 62551978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).