(4-fluoro-2-methylphenyl)-[3-(2-methylpropyl)phenyl]methanone

C18H19FO — CID 116543423

IUPAC(4-fluoro-2-methylphenyl)-[3-(2-methylpropyl)phenyl]methanone
SMILESCc1cc(F)ccc1C(=O)c1cccc(CC(C)C)c1
InChIInChI=1S/C18H19FO/c1-12(2)9-14-5-4-6-15(11-14)18(20)17-8-7-16(19)10-13(17)3/h4-8,10-12H,9H2,1-3H3
InChIKeyOXOPSHXZYFZYFE-UHFFFAOYSA-N
MW270.35 g/mol
LogP4.56
Rot. Bonds4

About (4-fluoro-2-methylphenyl)-[3-(2-methylpropyl)phenyl]methanone

(4-fluoro-2-methylphenyl)-[3-(2-methylpropyl)phenyl]methanone (PubChem CID 116543423) has the molecular formula C18H19FO and a molecular weight of 270.35 g/mol. Its IUPAC name is (4-fluoro-2-methylphenyl)-[3-(2-methylpropyl)phenyl]methanone.

Molecular Properties

Compound Name(4-fluoro-2-methylphenyl)-[3-(2-methylpropyl)phenyl]methanone
PubChem CID116543423
Molecular FormulaC18H19FO
Molecular Weight270.35 g/mol
Exact Mass270.14
IUPAC Name(4-fluoro-2-methylphenyl)-[3-(2-methylpropyl)phenyl]methanone
SMILESCc1cc(F)ccc1C(=O)c1cccc(CC(C)C)c1
InChIInChI=1S/C18H19FO/c1-12(2)9-14-5-4-6-15(11-14)18(20)17-8-7-16(19)10-13(17)3/h4-8,10-12H,9H2,1-3H3
InChIKeyOXOPSHXZYFZYFE-UHFFFAOYSA-N
XLogP4.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[3-(2-methylpropyl)phenyl]-(2,3,4-trifluorophenyl)methanone
CID 115812361
(4-chloro-2-fluorophenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 116543206
(2,6-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 116543370
(3-chloro-2-methylphenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 107101871
(2,4-dichlorophenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 115812297
(2-chloro-4-fluorophenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 43338130
(2,5-dibromophenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 115812427
(2-amino-3-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 107469289
(4-fluoro-2-methylphenyl)-(4-methylphenyl)methanone
CID 12739979
(5-bromo-2-chlorophenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 115812294
[3-(2-methylpropyl)phenyl]-pyridin-4-ylmethanone
CID 116543089
3-(2-methylpropyl)benzamide
CID 23130390

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-methylphenyl)-[3-(2-methylpropyl)phenyl]methanone?
The IUPAC name of (4-fluoro-2-methylphenyl)-[3-(2-methylpropyl)phenyl]methanone (CID 116543423) is (4-fluoro-2-methylphenyl)-[3-(2-methylpropyl)phenyl]methanone.
What is the SMILES notation for (4-fluoro-2-methylphenyl)-[3-(2-methylpropyl)phenyl]methanone?
The canonical SMILES for (4-fluoro-2-methylphenyl)-[3-(2-methylpropyl)phenyl]methanone is Cc1cc(F)ccc1C(=O)c1cccc(CC(C)C)c1.
What is the InChIKey of (4-fluoro-2-methylphenyl)-[3-(2-methylpropyl)phenyl]methanone?
The InChIKey is OXOPSHXZYFZYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO/c1-12(2)9-14-5-4-6-15(11-14)18(20)17-8-7-16(19)10-13(17)3/h4-8,10-12H,9H2,1-3H3.
What are the key properties of (4-fluoro-2-methylphenyl)-[3-(2-methylpropyl)phenyl]methanone?
(4-fluoro-2-methylphenyl)-[3-(2-methylpropyl)phenyl]methanone has a molecular weight of 270.35 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-methylphenyl)-[3-(2-methylpropyl)phenyl]methanone is sourced from PubChem (CID 116543423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).