(4-chloro-2-fluorophenyl)-[3-(2-methylpropyl)phenyl]methanone

C17H16ClFO — CID 116543206

IUPAC(4-chloro-2-fluorophenyl)-[3-(2-methylpropyl)phenyl]methanone
SMILESCC(C)Cc1cccc(C(=O)c2ccc(Cl)cc2F)c1
InChIInChI=1S/C17H16ClFO/c1-11(2)8-12-4-3-5-13(9-12)17(20)15-7-6-14(18)10-16(15)19/h3-7,9-11H,8H2,1-2H3
InChIKeyHBCJODFJOOZSJX-UHFFFAOYSA-N
MW290.77 g/mol
LogP4.91
Rot. Bonds4

About (4-chloro-2-fluorophenyl)-[3-(2-methylpropyl)phenyl]methanone

(4-chloro-2-fluorophenyl)-[3-(2-methylpropyl)phenyl]methanone (PubChem CID 116543206) has the molecular formula C17H16ClFO and a molecular weight of 290.77 g/mol. Its IUPAC name is (4-chloro-2-fluorophenyl)-[3-(2-methylpropyl)phenyl]methanone.

Molecular Properties

Compound Name(4-chloro-2-fluorophenyl)-[3-(2-methylpropyl)phenyl]methanone
PubChem CID116543206
Molecular FormulaC17H16ClFO
Molecular Weight290.77 g/mol
Exact Mass290.09
IUPAC Name(4-chloro-2-fluorophenyl)-[3-(2-methylpropyl)phenyl]methanone
SMILESCC(C)Cc1cccc(C(=O)c2ccc(Cl)cc2F)c1
InChIInChI=1S/C17H16ClFO/c1-11(2)8-12-4-3-5-13(9-12)17(20)15-7-6-14(18)10-16(15)19/h3-7,9-11H,8H2,1-2H3
InChIKeyHBCJODFJOOZSJX-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

(2,4-dichlorophenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 115812297
[3-(2-methylpropyl)phenyl]-(2,3,4-trifluorophenyl)methanone
CID 115812361
(2,6-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 116543370
(4-fluoro-2-methylphenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 116543423
(3-chloro-2-methylphenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 107101871
(5-bromo-2-chlorophenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 115812294
(2,5-dibromophenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 115812427
(4-chloro-2-fluorophenyl)-(3,4-difluorophenyl)methanone
CID 43338232
2-(2-fluorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanone
CID 116543144
[3-(2-methylpropyl)phenyl]-pyridin-4-ylmethanone
CID 116543089
3-(2-methylpropyl)benzamide
CID 23130390
(2,4-dichlorophenyl)-(3-propylphenyl)methanone
CID 115812034

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-fluorophenyl)-[3-(2-methylpropyl)phenyl]methanone?
The IUPAC name of (4-chloro-2-fluorophenyl)-[3-(2-methylpropyl)phenyl]methanone (CID 116543206) is (4-chloro-2-fluorophenyl)-[3-(2-methylpropyl)phenyl]methanone.
What is the SMILES notation for (4-chloro-2-fluorophenyl)-[3-(2-methylpropyl)phenyl]methanone?
The canonical SMILES for (4-chloro-2-fluorophenyl)-[3-(2-methylpropyl)phenyl]methanone is CC(C)Cc1cccc(C(=O)c2ccc(Cl)cc2F)c1.
What is the InChIKey of (4-chloro-2-fluorophenyl)-[3-(2-methylpropyl)phenyl]methanone?
The InChIKey is HBCJODFJOOZSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFO/c1-11(2)8-12-4-3-5-13(9-12)17(20)15-7-6-14(18)10-16(15)19/h3-7,9-11H,8H2,1-2H3.
What are the key properties of (4-chloro-2-fluorophenyl)-[3-(2-methylpropyl)phenyl]methanone?
(4-chloro-2-fluorophenyl)-[3-(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 (4-chloro-2-fluorophenyl)-[3-(2-methylpropyl)phenyl]methanone is sourced from PubChem (CID 116543206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).