(4-ethylphenyl)-(2-phenylcyclohexyl)methanone

C21H24O — CID 144802014

IUPAC(4-ethylphenyl)-(2-phenylcyclohexyl)methanone
SMILESCCc1ccc(C(=O)C2CCCCC2c2ccccc2)cc1
InChIInChI=1S/C21H24O/c1-2-16-12-14-18(15-13-16)21(22)20-11-7-6-10-19(20)17-8-4-3-5-9-17/h3-5,8-9,12-15,19-20H,2,6-7,10-11H2,1H3
InChIKeyJSOQOORCQINHIC-UHFFFAOYSA-N
MW292.42 g/mol
LogP5.41
Rot. Bonds4

About (4-ethylphenyl)-(2-phenylcyclohexyl)methanone

(4-ethylphenyl)-(2-phenylcyclohexyl)methanone (PubChem CID 144802014) has the molecular formula C21H24O and a molecular weight of 292.42 g/mol. Its IUPAC name is (4-ethylphenyl)-(2-phenylcyclohexyl)methanone.

Molecular Properties

Compound Name(4-ethylphenyl)-(2-phenylcyclohexyl)methanone
PubChem CID144802014
Molecular FormulaC21H24O
Molecular Weight292.42 g/mol
Exact Mass292.18
IUPAC Name(4-ethylphenyl)-(2-phenylcyclohexyl)methanone
SMILESCCc1ccc(C(=O)C2CCCCC2c2ccccc2)cc1
InChIInChI=1S/C21H24O/c1-2-16-12-14-18(15-13-16)21(22)20-11-7-6-10-19(20)17-8-4-3-5-9-17/h3-5,8-9,12-15,19-20H,2,6-7,10-11H2,1H3
InChIKeyJSOQOORCQINHIC-UHFFFAOYSA-N
XLogP5.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.42
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-(2-phenylcyclohexyl)methanone?
The IUPAC name of (4-ethylphenyl)-(2-phenylcyclohexyl)methanone (CID 144802014) is (4-ethylphenyl)-(2-phenylcyclohexyl)methanone.
What is the SMILES notation for (4-ethylphenyl)-(2-phenylcyclohexyl)methanone?
The canonical SMILES for (4-ethylphenyl)-(2-phenylcyclohexyl)methanone is CCc1ccc(C(=O)C2CCCCC2c2ccccc2)cc1.
What is the InChIKey of (4-ethylphenyl)-(2-phenylcyclohexyl)methanone?
The InChIKey is JSOQOORCQINHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O/c1-2-16-12-14-18(15-13-16)21(22)20-11-7-6-10-19(20)17-8-4-3-5-9-17/h3-5,8-9,12-15,19-20H,2,6-7,10-11H2,1H3.
What are the key properties of (4-ethylphenyl)-(2-phenylcyclohexyl)methanone?
(4-ethylphenyl)-(2-phenylcyclohexyl)methanone has a molecular weight of 292.42 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-(2-phenylcyclohexyl)methanone is sourced from PubChem (CID 144802014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).