(4-propan-2-ylphenyl)-(4-propylcyclohexyl)methanone

C19H28O — CID 65424840

IUPAC(4-propan-2-ylphenyl)-(4-propylcyclohexyl)methanone
SMILESCCCC1CCC(C(=O)c2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C19H28O/c1-4-5-15-6-8-17(9-7-15)19(20)18-12-10-16(11-13-18)14(2)3/h10-15,17H,4-9H2,1-3H3
InChIKeyZZDXEVYTUMPBFT-UHFFFAOYSA-N
MW272.43 g/mol
LogP5.60
Rot. Bonds5

About (4-propan-2-ylphenyl)-(4-propylcyclohexyl)methanone

(4-propan-2-ylphenyl)-(4-propylcyclohexyl)methanone (PubChem CID 65424840) has the molecular formula C19H28O and a molecular weight of 272.43 g/mol. Its IUPAC name is (4-propan-2-ylphenyl)-(4-propylcyclohexyl)methanone.

Molecular Properties

Compound Name(4-propan-2-ylphenyl)-(4-propylcyclohexyl)methanone
PubChem CID65424840
Molecular FormulaC19H28O
Molecular Weight272.43 g/mol
Exact Mass272.21
IUPAC Name(4-propan-2-ylphenyl)-(4-propylcyclohexyl)methanone
SMILESCCCC1CCC(C(=O)c2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C19H28O/c1-4-5-15-6-8-17(9-7-15)19(20)18-12-10-16(11-13-18)14(2)3/h10-15,17H,4-9H2,1-3H3
InChIKeyZZDXEVYTUMPBFT-UHFFFAOYSA-N
XLogP5.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.43
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylphenyl)-(4-propylcyclohexyl)methanone?
The IUPAC name of (4-propan-2-ylphenyl)-(4-propylcyclohexyl)methanone (CID 65424840) is (4-propan-2-ylphenyl)-(4-propylcyclohexyl)methanone.
What is the SMILES notation for (4-propan-2-ylphenyl)-(4-propylcyclohexyl)methanone?
The canonical SMILES for (4-propan-2-ylphenyl)-(4-propylcyclohexyl)methanone is CCCC1CCC(C(=O)c2ccc(C(C)C)cc2)CC1.
What is the InChIKey of (4-propan-2-ylphenyl)-(4-propylcyclohexyl)methanone?
The InChIKey is ZZDXEVYTUMPBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O/c1-4-5-15-6-8-17(9-7-15)19(20)18-12-10-16(11-13-18)14(2)3/h10-15,17H,4-9H2,1-3H3.
What are the key properties of (4-propan-2-ylphenyl)-(4-propylcyclohexyl)methanone?
(4-propan-2-ylphenyl)-(4-propylcyclohexyl)methanone has a molecular weight of 272.43 g/mol, XLogP of 5.60, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylphenyl)-(4-propylcyclohexyl)methanone is sourced from PubChem (CID 65424840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).