(4-fluoro-3-methylphenyl)-(4-methylcyclohexyl)methanone

C15H19FO — CID 62790630

IUPAC(4-fluoro-3-methylphenyl)-(4-methylcyclohexyl)methanone
SMILESCc1cc(C(=O)C2CCC(C)CC2)ccc1F
InChIInChI=1S/C15H19FO/c1-10-3-5-12(6-4-10)15(17)13-7-8-14(16)11(2)9-13/h7-10,12H,3-6H2,1-2H3
InChIKeyFWVNKVLXXMMHLM-UHFFFAOYSA-N
MW234.31 g/mol
LogP4.14
Rot. Bonds2

About (4-fluoro-3-methylphenyl)-(4-methylcyclohexyl)methanone

(4-fluoro-3-methylphenyl)-(4-methylcyclohexyl)methanone (PubChem CID 62790630) has the molecular formula C15H19FO and a molecular weight of 234.31 g/mol. Its IUPAC name is (4-fluoro-3-methylphenyl)-(4-methylcyclohexyl)methanone.

Molecular Properties

Compound Name(4-fluoro-3-methylphenyl)-(4-methylcyclohexyl)methanone
PubChem CID62790630
Molecular FormulaC15H19FO
Molecular Weight234.31 g/mol
Exact Mass234.14
IUPAC Name(4-fluoro-3-methylphenyl)-(4-methylcyclohexyl)methanone
SMILESCc1cc(C(=O)C2CCC(C)CC2)ccc1F
InChIInChI=1S/C15H19FO/c1-10-3-5-12(6-4-10)15(17)13-7-8-14(16)11(2)9-13/h7-10,12H,3-6H2,1-2H3
InChIKeyFWVNKVLXXMMHLM-UHFFFAOYSA-N
XLogP4.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methylphenyl)-(4-methylcyclohexyl)methanone?
The IUPAC name of (4-fluoro-3-methylphenyl)-(4-methylcyclohexyl)methanone (CID 62790630) is (4-fluoro-3-methylphenyl)-(4-methylcyclohexyl)methanone.
What is the SMILES notation for (4-fluoro-3-methylphenyl)-(4-methylcyclohexyl)methanone?
The canonical SMILES for (4-fluoro-3-methylphenyl)-(4-methylcyclohexyl)methanone is Cc1cc(C(=O)C2CCC(C)CC2)ccc1F.
What is the InChIKey of (4-fluoro-3-methylphenyl)-(4-methylcyclohexyl)methanone?
The InChIKey is FWVNKVLXXMMHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO/c1-10-3-5-12(6-4-10)15(17)13-7-8-14(16)11(2)9-13/h7-10,12H,3-6H2,1-2H3.
What are the key properties of (4-fluoro-3-methylphenyl)-(4-methylcyclohexyl)methanone?
(4-fluoro-3-methylphenyl)-(4-methylcyclohexyl)methanone has a molecular weight of 234.31 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methylphenyl)-(4-methylcyclohexyl)methanone is sourced from PubChem (CID 62790630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).