1-(cyclopentylmethyl)-4-(4-propylcyclohexyl)benzene

C21H32 — CID 71773137

IUPAC1-(cyclopentylmethyl)-4-(4-propylcyclohexyl)benzene
SMILESCCCC1CCC(c2ccc(CC3CCCC3)cc2)CC1
InChIInChI=1S/C21H32/c1-2-5-17-8-12-20(13-9-17)21-14-10-19(11-15-21)16-18-6-3-4-7-18/h10-11,14-15,17-18,20H,2-9,12-13,16H2,1H3
InChIKeyISBJOSKGDWUHKS-UHFFFAOYSA-N
MW284.49 g/mol
LogP6.49
Rot. Bonds5

About 1-(cyclopentylmethyl)-4-(4-propylcyclohexyl)benzene

1-(cyclopentylmethyl)-4-(4-propylcyclohexyl)benzene (PubChem CID 71773137) has the molecular formula C21H32 and a molecular weight of 284.49 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-4-(4-propylcyclohexyl)benzene.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-4-(4-propylcyclohexyl)benzene
PubChem CID71773137
Molecular FormulaC21H32
Molecular Weight284.49 g/mol
Exact Mass284.25
IUPAC Name1-(cyclopentylmethyl)-4-(4-propylcyclohexyl)benzene
SMILESCCCC1CCC(c2ccc(CC3CCCC3)cc2)CC1
InChIInChI=1S/C21H32/c1-2-5-17-8-12-20(13-9-17)21-14-10-19(11-15-21)16-18-6-3-4-7-18/h10-11,14-15,17-18,20H,2-9,12-13,16H2,1H3
InChIKeyISBJOSKGDWUHKS-UHFFFAOYSA-N
XLogP6.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.49
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(cyclopentylmethyl)-4-(4-propylcyclohexyl)benzene 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

1-(cyclopropylmethyl)-4-(4-methylcyclohexyl)benzene
CID 163396253
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372
4-[[4-(4-propylcyclohexyl)phenyl]methyl]aniline
CID 22420603
1-nonyl-4-(4-propylcyclohexyl)benzene
CID 20683431
(4-propylcyclohexyl)benzene
CID 155887669
1-ethyl-4-[2-[4-(4-propylcyclohexyl)phenyl]ethenyl]benzene
CID 141224926
1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenoxy]benzene
CID 19700194
fluoromethane;1-(4-methylcyclohexyl)-4-[4-[(4-methylcyclohexyl)methyl]phenyl]benzene
CID 90971028
carbamic acid;1-ethyl-4-(4-propylcyclohexyl)benzene
CID 70401958
1-methyl-4-[[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]methyl]benzene
CID 58932728
2-[4-(4-propylcyclohexyl)phenyl]-1,3-dithiane
CID 139613379
1-[(E)-prop-1-enyl]-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]benzene
CID 22991361

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-4-(4-propylcyclohexyl)benzene?
The IUPAC name of 1-(cyclopentylmethyl)-4-(4-propylcyclohexyl)benzene (CID 71773137) is 1-(cyclopentylmethyl)-4-(4-propylcyclohexyl)benzene.
What is the SMILES notation for 1-(cyclopentylmethyl)-4-(4-propylcyclohexyl)benzene?
The canonical SMILES for 1-(cyclopentylmethyl)-4-(4-propylcyclohexyl)benzene is CCCC1CCC(c2ccc(CC3CCCC3)cc2)CC1.
What is the InChIKey of 1-(cyclopentylmethyl)-4-(4-propylcyclohexyl)benzene?
The InChIKey is ISBJOSKGDWUHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32/c1-2-5-17-8-12-20(13-9-17)21-14-10-19(11-15-21)16-18-6-3-4-7-18/h10-11,14-15,17-18,20H,2-9,12-13,16H2,1H3.
What are the key properties of 1-(cyclopentylmethyl)-4-(4-propylcyclohexyl)benzene?
1-(cyclopentylmethyl)-4-(4-propylcyclohexyl)benzene has a molecular weight of 284.49 g/mol, XLogP of 6.49, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-4-(4-propylcyclohexyl)benzene is sourced from PubChem (CID 71773137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).