2-[4-(4-propylcyclohexyl)cyclohexyl]-1-(4-propylphenyl)ethanone

C26H40O — CID 54503846

IUPAC2-[4-(4-propylcyclohexyl)cyclohexyl]-1-(4-propylphenyl)ethanone
SMILESCCCc1ccc(C(=O)CC2CCC(C3CCC(CCC)CC3)CC2)cc1
InChIInChI=1S/C26H40O/c1-3-5-20-7-13-23(14-8-20)24-15-11-22(12-16-24)19-26(27)25-17-9-21(6-4-2)10-18-25/h9-10,17-18,20,22-24H,3-8,11-16,19H2,1-2H3
InChIKeyYEICAPWPTZPBKV-UHFFFAOYSA-N
MW368.61 g/mol
LogP7.62
Rot. Bonds8

About 2-[4-(4-propylcyclohexyl)cyclohexyl]-1-(4-propylphenyl)ethanone

2-[4-(4-propylcyclohexyl)cyclohexyl]-1-(4-propylphenyl)ethanone (PubChem CID 54503846) has the molecular formula C26H40O and a molecular weight of 368.61 g/mol. Its IUPAC name is 2-[4-(4-propylcyclohexyl)cyclohexyl]-1-(4-propylphenyl)ethanone.

Molecular Properties

Compound Name2-[4-(4-propylcyclohexyl)cyclohexyl]-1-(4-propylphenyl)ethanone
PubChem CID54503846
Molecular FormulaC26H40O
Molecular Weight368.61 g/mol
Exact Mass368.31
IUPAC Name2-[4-(4-propylcyclohexyl)cyclohexyl]-1-(4-propylphenyl)ethanone
SMILESCCCc1ccc(C(=O)CC2CCC(C3CCC(CCC)CC3)CC2)cc1
InChIInChI=1S/C26H40O/c1-3-5-20-7-13-23(14-8-20)24-15-11-22(12-16-24)19-26(27)25-17-9-21(6-4-2)10-18-25/h9-10,17-18,20,22-24H,3-8,11-16,19H2,1-2H3
InChIKeyYEICAPWPTZPBKV-UHFFFAOYSA-N
XLogP7.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.61
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[4-(4-propylcyclohexyl)cyclohexyl]-1-(4-propylphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-butylcyclohexyl)-1-[4-(4-pentylphenyl)phenyl]ethanone
CID 70444561
2-(1,3-dioxolan-2-yl)-1-(4-propylphenyl)ethanone
CID 66570608
4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]benzoic acid
CID 153328423
1-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]prop-2-en-1-one
CID 59695704
2-[4-(4-propylcyclohexyl)cyclohexyl]ethylbenzene
CID 22157204
propyl 4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]benzoate
CID 18604103
(4-ethylcyclohexyl)-(4-propylphenyl)methanone
CID 65392475
2-cyclopropyl-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone
CID 58145595
5-(4-propylcyclohexyl)-2-[4-(4-propylphenyl)phenyl]-1,3-dioxane
CID 70408940
2-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]acetic acid
CID 19026680
(4-propylphenyl) 4-(4-octylcyclohexyl)cyclohexane-1-carboxylate
CID 23335037
ethane;4-propylbenzoic acid
CID 91047964

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-propylcyclohexyl)cyclohexyl]-1-(4-propylphenyl)ethanone?
The IUPAC name of 2-[4-(4-propylcyclohexyl)cyclohexyl]-1-(4-propylphenyl)ethanone (CID 54503846) is 2-[4-(4-propylcyclohexyl)cyclohexyl]-1-(4-propylphenyl)ethanone.
What is the SMILES notation for 2-[4-(4-propylcyclohexyl)cyclohexyl]-1-(4-propylphenyl)ethanone?
The canonical SMILES for 2-[4-(4-propylcyclohexyl)cyclohexyl]-1-(4-propylphenyl)ethanone is CCCc1ccc(C(=O)CC2CCC(C3CCC(CCC)CC3)CC2)cc1.
What is the InChIKey of 2-[4-(4-propylcyclohexyl)cyclohexyl]-1-(4-propylphenyl)ethanone?
The InChIKey is YEICAPWPTZPBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40O/c1-3-5-20-7-13-23(14-8-20)24-15-11-22(12-16-24)19-26(27)25-17-9-21(6-4-2)10-18-25/h9-10,17-18,20,22-24H,3-8,11-16,19H2,1-2H3.
What are the key properties of 2-[4-(4-propylcyclohexyl)cyclohexyl]-1-(4-propylphenyl)ethanone?
2-[4-(4-propylcyclohexyl)cyclohexyl]-1-(4-propylphenyl)ethanone has a molecular weight of 368.61 g/mol, XLogP of 7.62, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-propylcyclohexyl)cyclohexyl]-1-(4-propylphenyl)ethanone is sourced from PubChem (CID 54503846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).