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

C19H21FO — CID 81481916

IUPAC(2-fluoro-3-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone
SMILESCCC(C)(C)c1ccc(C(=O)c2cccc(C)c2F)cc1
InChIInChI=1S/C19H21FO/c1-5-19(3,4)15-11-9-14(10-12-15)18(21)16-8-6-7-13(2)17(16)20/h6-12H,5H2,1-4H3
InChIKeyFNNUXYVCQIQSMV-UHFFFAOYSA-N
MW284.37 g/mol
LogP5.05
Rot. Bonds4

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

(2-fluoro-3-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone (PubChem CID 81481916) has the molecular formula C19H21FO and a molecular weight of 284.37 g/mol. Its IUPAC name is (2-fluoro-3-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone.

Molecular Properties

Compound Name(2-fluoro-3-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone
PubChem CID81481916
Molecular FormulaC19H21FO
Molecular Weight284.37 g/mol
Exact Mass284.16
IUPAC Name(2-fluoro-3-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone
SMILESCCC(C)(C)c1ccc(C(=O)c2cccc(C)c2F)cc1
InChIInChI=1S/C19H21FO/c1-5-19(3,4)15-11-9-14(10-12-15)18(21)16-8-6-7-13(2)17(16)20/h6-12H,5H2,1-4H3
InChIKeyFNNUXYVCQIQSMV-UHFFFAOYSA-N
XLogP5.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.37
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-ethylphenyl)-(2-fluoro-3-methylphenyl)methanone
CID 81480205
(4-fluoro-3-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone
CID 66245563
(5-chloro-2-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone
CID 82870554
(3,4-dimethylphenyl)-(2-fluoro-3-methylphenyl)methanone
CID 81481355
(2-fluoro-3-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 114970263
(4-amino-3-methylphenyl)-(2-fluoro-3-methylphenyl)methanone
CID 81478857
(2-fluoro-3-methylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107288416
1-[4-(2-methylbutan-2-yl)phenyl]propan-1-one
CID 19870051
(5-amino-2-chlorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone
CID 66258055
(2,3-dimethylphenyl)-(4-fluorophenyl)methanone
CID 43159951
(3-chlorophenyl)-(2-fluoro-3-methylphenyl)methanone
CID 114964168
(2-fluoro-3-methylphenyl)-thiophen-3-ylmethanone
CID 114975244

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone?
The IUPAC name of (2-fluoro-3-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone (CID 81481916) is (2-fluoro-3-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone.
What is the SMILES notation for (2-fluoro-3-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone?
The canonical SMILES for (2-fluoro-3-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone is CCC(C)(C)c1ccc(C(=O)c2cccc(C)c2F)cc1.
What is the InChIKey of (2-fluoro-3-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone?
The InChIKey is FNNUXYVCQIQSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FO/c1-5-19(3,4)15-11-9-14(10-12-15)18(21)16-8-6-7-13(2)17(16)20/h6-12H,5H2,1-4H3.
What are the key properties of (2-fluoro-3-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone?
(2-fluoro-3-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone has a molecular weight of 284.37 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone is sourced from PubChem (CID 81481916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).