2-(4-fluoro-2-methylphenyl)-1-phenylethanone

C15H13FO — CID 114347156

IUPAC2-(4-fluoro-2-methylphenyl)-1-phenylethanone
SMILESCc1cc(F)ccc1CC(=O)c1ccccc1
InChIInChI=1S/C15H13FO/c1-11-9-14(16)8-7-13(11)10-15(17)12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyIAALATUDMYJRQP-UHFFFAOYSA-N
MW228.27 g/mol
LogP3.56
Rot. Bonds3

About 2-(4-fluoro-2-methylphenyl)-1-phenylethanone

2-(4-fluoro-2-methylphenyl)-1-phenylethanone (PubChem CID 114347156) has the molecular formula C15H13FO and a molecular weight of 228.27 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenyl)-1-phenylethanone.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenyl)-1-phenylethanone
PubChem CID114347156
Molecular FormulaC15H13FO
Molecular Weight228.27 g/mol
Exact Mass228.10
IUPAC Name2-(4-fluoro-2-methylphenyl)-1-phenylethanone
SMILESCc1cc(F)ccc1CC(=O)c1ccccc1
InChIInChI=1S/C15H13FO/c1-11-9-14(16)8-7-13(11)10-15(17)12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyIAALATUDMYJRQP-UHFFFAOYSA-N
XLogP3.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-fluoro-2-methylphenyl)acetic acid
CID 5016950
1-(2-ethylphenyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 115812520
2-(4-fluoro-2-methylphenyl)-1-(1-methylpyrazol-4-yl)ethanone
CID 114347242
1-(4-bromophenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105373145
2-(4-fluoro-2-methylphenyl)-1-(3-methyl-2-pyridinyl)ethanone
CID 114347182
1-(2-fluoro-4-methylphenyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 115812673
1-(2-chloro-3-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 115812505
2-(4-fluoro-2-methylphenyl)-1-(1-phenylcyclopropyl)ethanone
CID 114347208
1-bromo-3-(4-fluoro-2-methylphenyl)propan-2-one
CID 130882304
1,1-difluoro-3-(4-fluoro-2-methylphenyl)propan-2-one
CID 114347353
4-[3-[(4-fluoro-2-methylphenyl)methyl]phenyl]-2,4-dioxobutanoic acid
CID 22613019
1-(4-fluoro-2-methylphenyl)-4-phenoxybutan-2-one
CID 114347135

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenyl)-1-phenylethanone?
The IUPAC name of 2-(4-fluoro-2-methylphenyl)-1-phenylethanone (CID 114347156) is 2-(4-fluoro-2-methylphenyl)-1-phenylethanone.
What is the SMILES notation for 2-(4-fluoro-2-methylphenyl)-1-phenylethanone?
The canonical SMILES for 2-(4-fluoro-2-methylphenyl)-1-phenylethanone is Cc1cc(F)ccc1CC(=O)c1ccccc1.
What is the InChIKey of 2-(4-fluoro-2-methylphenyl)-1-phenylethanone?
The InChIKey is IAALATUDMYJRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO/c1-11-9-14(16)8-7-13(11)10-15(17)12-5-3-2-4-6-12/h2-9H,10H2,1H3.
What are the key properties of 2-(4-fluoro-2-methylphenyl)-1-phenylethanone?
2-(4-fluoro-2-methylphenyl)-1-phenylethanone has a molecular weight of 228.27 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenyl)-1-phenylethanone is sourced from PubChem (CID 114347156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).