(2-chloro-4-fluorophenyl)-[4-(2-methylpropyl)phenyl]methanone

C17H16ClFO — CID 43338130

IUPAC(2-chloro-4-fluorophenyl)-[4-(2-methylpropyl)phenyl]methanone
SMILESCC(C)Cc1ccc(C(=O)c2ccc(F)cc2Cl)cc1
InChIInChI=1S/C17H16ClFO/c1-11(2)9-12-3-5-13(6-4-12)17(20)15-8-7-14(19)10-16(15)18/h3-8,10-11H,9H2,1-2H3
InChIKeyKEYHHBBXVJSUQV-UHFFFAOYSA-N
MW290.77 g/mol
LogP4.91
Rot. Bonds4

About (2-chloro-4-fluorophenyl)-[4-(2-methylpropyl)phenyl]methanone

(2-chloro-4-fluorophenyl)-[4-(2-methylpropyl)phenyl]methanone (PubChem CID 43338130) has the molecular formula C17H16ClFO and a molecular weight of 290.77 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)-[4-(2-methylpropyl)phenyl]methanone.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)-[4-(2-methylpropyl)phenyl]methanone
PubChem CID43338130
Molecular FormulaC17H16ClFO
Molecular Weight290.77 g/mol
Exact Mass290.09
IUPAC Name(2-chloro-4-fluorophenyl)-[4-(2-methylpropyl)phenyl]methanone
SMILESCC(C)Cc1ccc(C(=O)c2ccc(F)cc2Cl)cc1
InChIInChI=1S/C17H16ClFO/c1-11(2)9-12-3-5-13(6-4-12)17(20)15-8-7-14(19)10-16(15)18/h3-8,10-11H,9H2,1-2H3
InChIKeyKEYHHBBXVJSUQV-UHFFFAOYSA-N
XLogP4.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 4-(2-chloro-4-fluorobenzoyl)benzoate
CID 175059139
(2-chloro-3-fluorophenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 81454343
(4-fluoro-2-methylphenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 116543423
(2,4-dichlorophenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 115812297
(3-bromo-5-fluorophenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 43248253
(5-chloro-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 43160247
(2-chloro-4-fluorophenyl)-(3-propylphenyl)methanone
CID 116543192
1-(4-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]ethanone
CID 165436365
(2-chloro-4-fluorophenyl)-(4-chloro-2-methylphenyl)methanone
CID 146005847
(2S)-2-chloro-1-[4-(2-methylpropyl)phenyl]propan-1-one
CID 6931819
[4-[(dimethylamino)methyl]phenyl]-[4-(2-methylpropyl)phenyl]methanone
CID 58820967
(2-iodophenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 43338137

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)-[4-(2-methylpropyl)phenyl]methanone?
The IUPAC name of (2-chloro-4-fluorophenyl)-[4-(2-methylpropyl)phenyl]methanone (CID 43338130) is (2-chloro-4-fluorophenyl)-[4-(2-methylpropyl)phenyl]methanone.
What is the SMILES notation for (2-chloro-4-fluorophenyl)-[4-(2-methylpropyl)phenyl]methanone?
The canonical SMILES for (2-chloro-4-fluorophenyl)-[4-(2-methylpropyl)phenyl]methanone is CC(C)Cc1ccc(C(=O)c2ccc(F)cc2Cl)cc1.
What is the InChIKey of (2-chloro-4-fluorophenyl)-[4-(2-methylpropyl)phenyl]methanone?
The InChIKey is KEYHHBBXVJSUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFO/c1-11(2)9-12-3-5-13(6-4-12)17(20)15-8-7-14(19)10-16(15)18/h3-8,10-11H,9H2,1-2H3.
What are the key properties of (2-chloro-4-fluorophenyl)-[4-(2-methylpropyl)phenyl]methanone?
(2-chloro-4-fluorophenyl)-[4-(2-methylpropyl)phenyl]methanone has a molecular weight of 290.77 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluorophenyl)-[4-(2-methylpropyl)phenyl]methanone is sourced from PubChem (CID 43338130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).