1-(3-Fluoro-4-methoxyphenyl)-2-(3-methylphenyl)ethanone

C16H15FO2 — CID 62389398

IUPAC1-(3-fluoro-4-methoxyphenyl)-2-(3-methylphenyl)ethanone
SMILESCC1=CC(=CC=C1)CC(=O)C2=CC(=C(C=C2)OC)F
InChIInChI=1S/C16H15FO2/c1-11-4-3-5-12(8-11)9-15(18)13-6-7-16(19-2)14(17)10-13/h3-8,10H,9H2,1-2H3
InChIKeyCMASSHALNLAPEG-UHFFFAOYSA-N
MW258.29 g/mol
LogP3.60
Rot. Bonds4

About 1-(3-Fluoro-4-methoxyphenyl)-2-(3-methylphenyl)ethanone

1-(3-Fluoro-4-methoxyphenyl)-2-(3-methylphenyl)ethanone (PubChem CID 62389398) has the molecular formula C16H15FO2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-2-(3-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(3-Fluoro-4-methoxyphenyl)-2-(3-methylphenyl)ethanone
PubChem CID62389398
Molecular FormulaC16H15FO2
Molecular Weight258.29 g/mol
Exact Mass258.11
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-2-(3-methylphenyl)ethanone
SMILESCC1=CC(=CC=C1)CC(=O)C2=CC(=C(C=C2)OC)F
InChIInChI=1S/C16H15FO2/c1-11-4-3-5-12(8-11)9-15(18)13-6-7-16(19-2)14(17)10-13/h3-8,10H,9H2,1-2H3
InChIKeyCMASSHALNLAPEG-UHFFFAOYSA-N
XLogP3.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity305

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Avobenzone
CID 51040
4'-Methoxyacetophenone
CID 7476
4-Methoxybenzaldehyde
CID 31244
4'-Methoxychalcone
CID 641818
Bromomethyl 4-methoxyphenyl ketone
CID 4965
1-(4-Methoxy-phenyl)-2-phenyl-ethane-1,2-dione
CID 31494
4,4'-Dimethoxybenzil
CID 71043
2'-Hydroxy-4-methoxychalcone
CID 5331295
1,2-Ethanedione, 1,2-bis(3-methoxyphenyl)-
CID 123493
4,4'-Dimethoxybenzoin
CID 95415
4-Methoxychalcone
CID 641819
6-Methoxy-alpha-tetralone
CID 14112

Frequently Asked Questions

What is the IUPAC name of 1-(3-Fluoro-4-methoxyphenyl)-2-(3-methylphenyl)ethanone?
The IUPAC name of 1-(3-Fluoro-4-methoxyphenyl)-2-(3-methylphenyl)ethanone (CID 62389398) is 1-(3-fluoro-4-methoxyphenyl)-2-(3-methylphenyl)ethanone.
What is the SMILES notation for 1-(3-Fluoro-4-methoxyphenyl)-2-(3-methylphenyl)ethanone?
The canonical SMILES for 1-(3-Fluoro-4-methoxyphenyl)-2-(3-methylphenyl)ethanone is CC1=CC(=CC=C1)CC(=O)C2=CC(=C(C=C2)OC)F.
What is the InChIKey of 1-(3-Fluoro-4-methoxyphenyl)-2-(3-methylphenyl)ethanone?
The InChIKey is CMASSHALNLAPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO2/c1-11-4-3-5-12(8-11)9-15(18)13-6-7-16(19-2)14(17)10-13/h3-8,10H,9H2,1-2H3.
What are the key properties of 1-(3-Fluoro-4-methoxyphenyl)-2-(3-methylphenyl)ethanone?
1-(3-Fluoro-4-methoxyphenyl)-2-(3-methylphenyl)ethanone has a molecular weight of 258.29 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-Fluoro-4-methoxyphenyl)-2-(3-methylphenyl)ethanone is sourced from PubChem (CID 62389398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).