4-(2-fluorophenyl)-4-(4-methoxyphenyl)cyclohexan-1-one

C19H19FO2 — CID 71245096

IUPAC4-(2-fluorophenyl)-4-(4-methoxyphenyl)cyclohexan-1-one
SMILESCOc1ccc(C2(c3ccccc3F)CCC(=O)CC2)cc1
InChIInChI=1S/C19H19FO2/c1-22-16-8-6-14(7-9-16)19(12-10-15(21)11-13-19)17-4-2-3-5-18(17)20/h2-9H,10-13H2,1H3
InChIKeyLHILIRMQCGOSKQ-UHFFFAOYSA-N
MW298.36 g/mol
LogP4.26
Rot. Bonds3

About 4-(2-fluorophenyl)-4-(4-methoxyphenyl)cyclohexan-1-one

4-(2-fluorophenyl)-4-(4-methoxyphenyl)cyclohexan-1-one (PubChem CID 71245096) has the molecular formula C19H19FO2 and a molecular weight of 298.36 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-4-(4-methoxyphenyl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(2-fluorophenyl)-4-(4-methoxyphenyl)cyclohexan-1-one
PubChem CID71245096
Molecular FormulaC19H19FO2
Molecular Weight298.36 g/mol
Exact Mass298.14
IUPAC Name4-(2-fluorophenyl)-4-(4-methoxyphenyl)cyclohexan-1-one
SMILESCOc1ccc(C2(c3ccccc3F)CCC(=O)CC2)cc1
InChIInChI=1S/C19H19FO2/c1-22-16-8-6-14(7-9-16)19(12-10-15(21)11-13-19)17-4-2-3-5-18(17)20/h2-9H,10-13H2,1H3
InChIKeyLHILIRMQCGOSKQ-UHFFFAOYSA-N
XLogP4.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-4-(4-methoxyphenyl)cyclohexan-1-one?
The IUPAC name of 4-(2-fluorophenyl)-4-(4-methoxyphenyl)cyclohexan-1-one (CID 71245096) is 4-(2-fluorophenyl)-4-(4-methoxyphenyl)cyclohexan-1-one.
What is the SMILES notation for 4-(2-fluorophenyl)-4-(4-methoxyphenyl)cyclohexan-1-one?
The canonical SMILES for 4-(2-fluorophenyl)-4-(4-methoxyphenyl)cyclohexan-1-one is COc1ccc(C2(c3ccccc3F)CCC(=O)CC2)cc1.
What is the InChIKey of 4-(2-fluorophenyl)-4-(4-methoxyphenyl)cyclohexan-1-one?
The InChIKey is LHILIRMQCGOSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FO2/c1-22-16-8-6-14(7-9-16)19(12-10-15(21)11-13-19)17-4-2-3-5-18(17)20/h2-9H,10-13H2,1H3.
What are the key properties of 4-(2-fluorophenyl)-4-(4-methoxyphenyl)cyclohexan-1-one?
4-(2-fluorophenyl)-4-(4-methoxyphenyl)cyclohexan-1-one has a molecular weight of 298.36 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-4-(4-methoxyphenyl)cyclohexan-1-one is sourced from PubChem (CID 71245096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).