1-(1-pentylcyclohexyl)-2-[4-(1-propylcyclohexyl)phenyl]benzene

C32H46 — CID 23219386

IUPAC1-(1-pentylcyclohexyl)-2-[4-(1-propylcyclohexyl)phenyl]benzene
SMILESCCCCCC1(c2ccccc2-c2ccc(C3(CCC)CCCCC3)cc2)CCCCC1
InChIInChI=1S/C32H46/c1-3-5-10-24-32(25-13-7-14-26-32)30-16-9-8-15-29(30)27-17-19-28(20-18-27)31(21-4-2)22-11-6-12-23-31/h8-9,15-20H,3-7,10-14,21-26H2,1-2H3
InChIKeyWAQBOPLWWKVHCA-UHFFFAOYSA-N
MW430.72 g/mol
LogP10.14
Rot. Bonds9

About 1-(1-pentylcyclohexyl)-2-[4-(1-propylcyclohexyl)phenyl]benzene

1-(1-pentylcyclohexyl)-2-[4-(1-propylcyclohexyl)phenyl]benzene (PubChem CID 23219386) has the molecular formula C32H46 and a molecular weight of 430.72 g/mol. Its IUPAC name is 1-(1-pentylcyclohexyl)-2-[4-(1-propylcyclohexyl)phenyl]benzene.

Molecular Properties

Compound Name1-(1-pentylcyclohexyl)-2-[4-(1-propylcyclohexyl)phenyl]benzene
PubChem CID23219386
Molecular FormulaC32H46
Molecular Weight430.72 g/mol
Exact Mass430.36
IUPAC Name1-(1-pentylcyclohexyl)-2-[4-(1-propylcyclohexyl)phenyl]benzene
SMILESCCCCCC1(c2ccccc2-c2ccc(C3(CCC)CCCCC3)cc2)CCCCC1
InChIInChI=1S/C32H46/c1-3-5-10-24-32(25-13-7-14-26-32)30-16-9-8-15-29(30)27-17-19-28(20-18-27)31(21-4-2)22-11-6-12-23-31/h8-9,15-20H,3-7,10-14,21-26H2,1-2H3
InChIKeyWAQBOPLWWKVHCA-UHFFFAOYSA-N
XLogP10.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.72
LogP ≤ 510.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-[4-(1-hexylcyclohexyl)phenyl]phenyl]ethanone
CID 70444403
2-(1-pentylcyclohexyl)benzoic acid
CID 22401965
(1-butylcyclobutyl)benzene
CID 57200184
1-(1-hexylcyclohexyl)-4-pentoxybenzene
CID 70489126
1-ethyl-4-[1-[4-(1-heptylcyclohexyl)butyl]cyclohexyl]benzene
CID 173363076
2-(1-propylcyclohexyl)benzoic acid
CID 174854619
[4-[2-methyl-4-(1-pentylcyclohexyl)phenyl]phenyl] octanoate
CID 57203348
6-(1-heptylcyclohexyl)-2-pentyl-1,2,3,4-tetrahydronaphthalene
CID 57297875
2-methyl-6-(1-pentylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 57187592
4-[1-(4-phenylphenyl)cyclobutyl]butan-1-amine;hydrochloride
CID 69400003
9-[3-[3-(1-butylcyclohexyl)-5-(3-phenylphenyl)phenyl]phenyl]-9-[3-[3-(3-phenylphenyl)-5-undecan-5-ylphenyl]phenyl]fluorene;methane
CID 145189191
9,9-di(docosyl)fluorene
CID 22568526

Frequently Asked Questions

What is the IUPAC name of 1-(1-pentylcyclohexyl)-2-[4-(1-propylcyclohexyl)phenyl]benzene?
The IUPAC name of 1-(1-pentylcyclohexyl)-2-[4-(1-propylcyclohexyl)phenyl]benzene (CID 23219386) is 1-(1-pentylcyclohexyl)-2-[4-(1-propylcyclohexyl)phenyl]benzene.
What is the SMILES notation for 1-(1-pentylcyclohexyl)-2-[4-(1-propylcyclohexyl)phenyl]benzene?
The canonical SMILES for 1-(1-pentylcyclohexyl)-2-[4-(1-propylcyclohexyl)phenyl]benzene is CCCCCC1(c2ccccc2-c2ccc(C3(CCC)CCCCC3)cc2)CCCCC1.
What is the InChIKey of 1-(1-pentylcyclohexyl)-2-[4-(1-propylcyclohexyl)phenyl]benzene?
The InChIKey is WAQBOPLWWKVHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46/c1-3-5-10-24-32(25-13-7-14-26-32)30-16-9-8-15-29(30)27-17-19-28(20-18-27)31(21-4-2)22-11-6-12-23-31/h8-9,15-20H,3-7,10-14,21-26H2,1-2H3.
What are the key properties of 1-(1-pentylcyclohexyl)-2-[4-(1-propylcyclohexyl)phenyl]benzene?
1-(1-pentylcyclohexyl)-2-[4-(1-propylcyclohexyl)phenyl]benzene has a molecular weight of 430.72 g/mol, XLogP of 10.14, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pentylcyclohexyl)-2-[4-(1-propylcyclohexyl)phenyl]benzene is sourced from PubChem (CID 23219386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).