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

C18H19FO2 — CID 63491623

IUPAC(3-fluoro-4-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone
SMILESCOc1ccc(C(=O)c2ccc(CC(C)C)cc2)cc1F
InChIInChI=1S/C18H19FO2/c1-12(2)10-13-4-6-14(7-5-13)18(20)15-8-9-17(21-3)16(19)11-15/h4-9,11-12H,10H2,1-3H3
InChIKeyFHDBLYQPAHCWIZ-UHFFFAOYSA-N
MW286.35 g/mol
LogP4.26
Rot. Bonds5

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

(3-fluoro-4-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone (PubChem CID 63491623) has the molecular formula C18H19FO2 and a molecular weight of 286.35 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone
PubChem CID63491623
Molecular FormulaC18H19FO2
Molecular Weight286.35 g/mol
Exact Mass286.14
IUPAC Name(3-fluoro-4-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone
SMILESCOc1ccc(C(=O)c2ccc(CC(C)C)cc2)cc1F
InChIInChI=1S/C18H19FO2/c1-12(2)10-13-4-6-14(7-5-13)18(20)15-8-9-17(21-3)16(19)11-15/h4-9,11-12H,10H2,1-3H3
InChIKeyFHDBLYQPAHCWIZ-UHFFFAOYSA-N
XLogP4.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-dimethoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 14297404
(3-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 3021160
(4-butylphenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 63492657
(4-chlorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 2757552
(3-fluoro-4-methoxyphenyl)-(4-propan-2-yloxyphenyl)methanone
CID 62919038
(5-chloro-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 43160247
(3-fluoro-4-methoxyphenyl)-(4-phenylphenyl)methanone
CID 146005301
(3,5-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 24723233
(3-fluoro-4-methoxyphenyl)-(3-fluorophenyl)methanone
CID 22015795
(4-bromo-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 115368731
(3-fluoro-4-methoxyphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 83044007
2-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpentanoic acid
CID 61130269

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone (CID 63491623) is (3-fluoro-4-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone is COc1ccc(C(=O)c2ccc(CC(C)C)cc2)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone?
The InChIKey is FHDBLYQPAHCWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO2/c1-12(2)10-13-4-6-14(7-5-13)18(20)15-8-9-17(21-3)16(19)11-15/h4-9,11-12H,10H2,1-3H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone?
(3-fluoro-4-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone has a molecular weight of 286.35 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone is sourced from PubChem (CID 63491623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).