2-methyl-1-[3-methyl-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-4-[2-(4-nonylcyclohexyl)ethyl]benzene

C42H66 — CID 18649509

IUPAC2-methyl-1-[3-methyl-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-4-[2-(4-nonylcyclohexyl)ethyl]benzene
SMILESCCCCCCCCCC1CCC(CCc2ccc(-c3ccc(CCC4CCC(CCC)CC4)c(C)c3)c(C)c2)CC1
InChIInChI=1S/C42H66/c1-5-7-8-9-10-11-12-14-36-17-21-37(22-18-36)23-24-39-26-30-42(34(4)31-39)41-29-28-40(33(3)32-41)27-25-38-19-15-35(13-6-2)16-20-38/h26,28-32,35-38H,5-25,27H2,1-4H3
InChIKeyWHPMCBKAUMZWSW-UHFFFAOYSA-N
MW570.99 g/mol
LogP13.39
Rot. Bonds17

About 2-methyl-1-[3-methyl-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-4-[2-(4-nonylcyclohexyl)ethyl]benzene

2-methyl-1-[3-methyl-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-4-[2-(4-nonylcyclohexyl)ethyl]benzene (PubChem CID 18649509) has the molecular formula C42H66 and a molecular weight of 570.99 g/mol. Its IUPAC name is 2-methyl-1-[3-methyl-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-4-[2-(4-nonylcyclohexyl)ethyl]benzene.

Molecular Properties

Compound Name2-methyl-1-[3-methyl-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-4-[2-(4-nonylcyclohexyl)ethyl]benzene
PubChem CID18649509
Molecular FormulaC42H66
Molecular Weight570.99 g/mol
Exact Mass570.52
IUPAC Name2-methyl-1-[3-methyl-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-4-[2-(4-nonylcyclohexyl)ethyl]benzene
SMILESCCCCCCCCCC1CCC(CCc2ccc(-c3ccc(CCC4CCC(CCC)CC4)c(C)c3)c(C)c2)CC1
InChIInChI=1S/C42H66/c1-5-7-8-9-10-11-12-14-36-17-21-37(22-18-36)23-24-39-26-30-42(34(4)31-39)41-29-28-40(33(3)32-41)27-25-38-19-15-35(13-6-2)16-20-38/h26,28-32,35-38H,5-25,27H2,1-4H3
InChIKeyWHPMCBKAUMZWSW-UHFFFAOYSA-N
XLogP13.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.99
LogP ≤ 513.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-methyl-1-[3-methyl-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-4-[2-(4-nonylcyclohexyl)ethyl]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

2-methyl-1,4-bis[2-(4-nonylcyclohexyl)ethyl]benzene
CID 19008279
2-methyl-1-[2-(4-nonylcyclohexyl)ethyl]-4-pentylbenzene
CID 19008463
2-(2-methyl-4-pentylphenyl)-5-[2-(4-pentylcyclohexyl)ethyl]pyrimidine
CID 54549781
5-[2-methyl-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-2-propylpyrimidine
CID 19008051
2-methyl-N-octyl-4-[2-(4-pentylcyclohexyl)ethyl]aniline
CID 19008306
2,3-difluoro-1-[2-(4-heptylcyclohexyl)ethyl]-4-(4-heptylphenyl)benzene
CID 67895821
1-[4-(4-pentylcyclohexyl)butyl]-4-[2-(4-pentylcyclohexyl)ethyl]benzene
CID 18965925
2-methyl-4-nonyl-1-(4-nonylcyclohexyl)benzene
CID 19008146
1-methyl-4-[4-(4-pentylcyclohexyl)butyl]benzene
CID 18965894
4-butyl-2-ethyl-1-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 162428601
1-(4-chlorophenyl)-2-fluoro-4-[2-[4-[2-(4-hexylphenyl)ethyl]cyclohexyl]ethyl]benzene
CID 54097147
1-(4-ethylphenyl)-2,3-difluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene
CID 67895695

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-methyl-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-4-[2-(4-nonylcyclohexyl)ethyl]benzene?
The IUPAC name of 2-methyl-1-[3-methyl-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-4-[2-(4-nonylcyclohexyl)ethyl]benzene (CID 18649509) is 2-methyl-1-[3-methyl-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-4-[2-(4-nonylcyclohexyl)ethyl]benzene.
What is the SMILES notation for 2-methyl-1-[3-methyl-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-4-[2-(4-nonylcyclohexyl)ethyl]benzene?
The canonical SMILES for 2-methyl-1-[3-methyl-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-4-[2-(4-nonylcyclohexyl)ethyl]benzene is CCCCCCCCCC1CCC(CCc2ccc(-c3ccc(CCC4CCC(CCC)CC4)c(C)c3)c(C)c2)CC1.
What is the InChIKey of 2-methyl-1-[3-methyl-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-4-[2-(4-nonylcyclohexyl)ethyl]benzene?
The InChIKey is WHPMCBKAUMZWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H66/c1-5-7-8-9-10-11-12-14-36-17-21-37(22-18-36)23-24-39-26-30-42(34(4)31-39)41-29-28-40(33(3)32-41)27-25-38-19-15-35(13-6-2)16-20-38/h26,28-32,35-38H,5-25,27H2,1-4H3.
What are the key properties of 2-methyl-1-[3-methyl-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-4-[2-(4-nonylcyclohexyl)ethyl]benzene?
2-methyl-1-[3-methyl-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-4-[2-(4-nonylcyclohexyl)ethyl]benzene has a molecular weight of 570.99 g/mol, XLogP of 13.39, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-methyl-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-4-[2-(4-nonylcyclohexyl)ethyl]benzene is sourced from PubChem (CID 18649509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).