1-chloro-4-[4-[2-[4-(4-nonylphenyl)cyclohexyl]ethyl]phenyl]benzene

C35H45Cl — CID 54067509

IUPAC1-chloro-4-[4-[2-[4-(4-nonylphenyl)cyclohexyl]ethyl]phenyl]benzene
SMILESCCCCCCCCCc1ccc(C2CCC(CCc3ccc(-c4ccc(Cl)cc4)cc3)CC2)cc1
InChIInChI=1S/C35H45Cl/c1-2-3-4-5-6-7-8-9-28-12-18-31(19-13-28)32-20-14-29(15-21-32)10-11-30-16-22-33(23-17-30)34-24-26-35(36)27-25-34/h12-13,16-19,22-27,29,32H,2-11,14-15,20-21H2,1H3
InChIKeyMEBBGUPTFFWNOG-UHFFFAOYSA-N
MW501.20 g/mol
LogP11.21
Rot. Bonds13

About 1-chloro-4-[4-[2-[4-(4-nonylphenyl)cyclohexyl]ethyl]phenyl]benzene

1-chloro-4-[4-[2-[4-(4-nonylphenyl)cyclohexyl]ethyl]phenyl]benzene (PubChem CID 54067509) has the molecular formula C35H45Cl and a molecular weight of 501.20 g/mol. Its IUPAC name is 1-chloro-4-[4-[2-[4-(4-nonylphenyl)cyclohexyl]ethyl]phenyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[4-[2-[4-(4-nonylphenyl)cyclohexyl]ethyl]phenyl]benzene
PubChem CID54067509
Molecular FormulaC35H45Cl
Molecular Weight501.20 g/mol
Exact Mass500.32
IUPAC Name1-chloro-4-[4-[2-[4-(4-nonylphenyl)cyclohexyl]ethyl]phenyl]benzene
SMILESCCCCCCCCCc1ccc(C2CCC(CCc3ccc(-c4ccc(Cl)cc4)cc3)CC2)cc1
InChIInChI=1S/C35H45Cl/c1-2-3-4-5-6-7-8-9-28-12-18-31(19-13-28)32-20-14-29(15-21-32)10-11-30-16-22-33(23-17-30)34-24-26-35(36)27-25-34/h12-13,16-19,22-27,29,32H,2-11,14-15,20-21H2,1H3
InChIKeyMEBBGUPTFFWNOG-UHFFFAOYSA-N
XLogP11.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.20
LogP ≤ 511.21
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-nonyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 22008062
1-dodecyl-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539025
1-hexyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene
CID 20539243
1-hexyl-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539240
1-hexyl-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20539325
1-heptyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene
CID 20538951
1-nonyl-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 20539381
2-chloro-1,3-difluoro-5-[4-[2-[4-(4-pentylphenyl)cyclohexyl]ethyl]phenyl]benzene
CID 54054903
1-pentyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 15606766
1-nonyl-4-(4-propylcyclohexyl)benzene
CID 20683431
1-heptyl-4-(4-methylphenyl)benzene;1-(4-hexylcyclohexyl)-4-methylbenzene;methane;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene;1-methyl-4-(4-pentylphenyl)benzene;1-methyl-4-[4-(4-pentylphenyl)phenyl]benzene
CID 161465847
1-(4-hexylcyclohexyl)-4-(4-propylphenyl)benzene
CID 20539374

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[4-[2-[4-(4-nonylphenyl)cyclohexyl]ethyl]phenyl]benzene?
The IUPAC name of 1-chloro-4-[4-[2-[4-(4-nonylphenyl)cyclohexyl]ethyl]phenyl]benzene (CID 54067509) is 1-chloro-4-[4-[2-[4-(4-nonylphenyl)cyclohexyl]ethyl]phenyl]benzene.
What is the SMILES notation for 1-chloro-4-[4-[2-[4-(4-nonylphenyl)cyclohexyl]ethyl]phenyl]benzene?
The canonical SMILES for 1-chloro-4-[4-[2-[4-(4-nonylphenyl)cyclohexyl]ethyl]phenyl]benzene is CCCCCCCCCc1ccc(C2CCC(CCc3ccc(-c4ccc(Cl)cc4)cc3)CC2)cc1.
What is the InChIKey of 1-chloro-4-[4-[2-[4-(4-nonylphenyl)cyclohexyl]ethyl]phenyl]benzene?
The InChIKey is MEBBGUPTFFWNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H45Cl/c1-2-3-4-5-6-7-8-9-28-12-18-31(19-13-28)32-20-14-29(15-21-32)10-11-30-16-22-33(23-17-30)34-24-26-35(36)27-25-34/h12-13,16-19,22-27,29,32H,2-11,14-15,20-21H2,1H3.
What are the key properties of 1-chloro-4-[4-[2-[4-(4-nonylphenyl)cyclohexyl]ethyl]phenyl]benzene?
1-chloro-4-[4-[2-[4-(4-nonylphenyl)cyclohexyl]ethyl]phenyl]benzene has a molecular weight of 501.20 g/mol, XLogP of 11.21, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[4-[2-[4-(4-nonylphenyl)cyclohexyl]ethyl]phenyl]benzene is sourced from PubChem (CID 54067509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).