1-(3-chloro-4-methylphenyl)-2-(4-fluorophenyl)ethanone

C15H12ClFO — CID 63194906

IUPAC1-(3-chloro-4-methylphenyl)-2-(4-fluorophenyl)ethanone
SMILESCc1ccc(C(=O)Cc2ccc(F)cc2)cc1Cl
InChIInChI=1S/C15H12ClFO/c1-10-2-5-12(9-14(10)16)15(18)8-11-3-6-13(17)7-4-11/h2-7,9H,8H2,1H3
InChIKeyOBCYJHURISGFCK-UHFFFAOYSA-N
MW262.71 g/mol
LogP4.21
Rot. Bonds3

About 1-(3-chloro-4-methylphenyl)-2-(4-fluorophenyl)ethanone

1-(3-chloro-4-methylphenyl)-2-(4-fluorophenyl)ethanone (PubChem CID 63194906) has the molecular formula C15H12ClFO and a molecular weight of 262.71 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-2-(4-fluorophenyl)ethanone
PubChem CID63194906
Molecular FormulaC15H12ClFO
Molecular Weight262.71 g/mol
Exact Mass262.06
IUPAC Name1-(3-chloro-4-methylphenyl)-2-(4-fluorophenyl)ethanone
SMILESCc1ccc(C(=O)Cc2ccc(F)cc2)cc1Cl
InChIInChI=1S/C15H12ClFO/c1-10-2-5-12(9-14(10)16)15(18)8-11-3-6-13(17)7-4-11/h2-7,9H,8H2,1H3
InChIKeyOBCYJHURISGFCK-UHFFFAOYSA-N
XLogP4.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.71
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-4-methylphenyl)-2-(3-chlorophenyl)ethanone
CID 63528907
4-[2-(4-fluorophenyl)-2-oxoethyl]-2-methylbenzoic acid
CID 70007981
1-(3-chloro-4-methylphenyl)-2-(2-chlorophenyl)ethanone
CID 63528027
2-(4-bromo-2-fluorophenyl)-1-(3-chloro-4-methylphenyl)ethanone
CID 114968547
3-amino-1-(3-chloro-4-methylphenyl)propan-1-one
CID 107561222
1-(3,4-dihydroxyphenyl)-2-(4-fluorophenyl)ethanone
CID 46881771
2-amino-1-(3-chloro-4-methylphenyl)ethanone
CID 65179796
2-(2-bromo-3-fluorophenyl)-1-(3-chloro-4-methylphenyl)ethanone
CID 115790146
1-(3-amino-4-methylphenyl)-2-(3-chloro-4-fluorophenyl)ethanone
CID 103042493
1-(3,4-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 63409918
2-(4-bromophenyl)-1-(4-chloro-3-methylphenyl)ethanone
CID 113397199
2-(4-bromophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 60797592

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-2-(4-fluorophenyl)ethanone (CID 63194906) is 1-(3-chloro-4-methylphenyl)-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-2-(4-fluorophenyl)ethanone is Cc1ccc(C(=O)Cc2ccc(F)cc2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-2-(4-fluorophenyl)ethanone?
The InChIKey is OBCYJHURISGFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO/c1-10-2-5-12(9-14(10)16)15(18)8-11-3-6-13(17)7-4-11/h2-7,9H,8H2,1H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-2-(4-fluorophenyl)ethanone?
1-(3-chloro-4-methylphenyl)-2-(4-fluorophenyl)ethanone has a molecular weight of 262.71 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 63194906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).