1-chloro-4-[[4-(4-heptylcyclohexyl)phenyl]methyl]benzene

C26H35Cl — CID 139748650

IUPAC1-chloro-4-[[4-(4-heptylcyclohexyl)phenyl]methyl]benzene
SMILESCCCCCCCC1CCC(c2ccc(Cc3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C26H35Cl/c1-2-3-4-5-6-7-21-8-14-24(15-9-21)25-16-10-22(11-17-25)20-23-12-18-26(27)19-13-23/h10-13,16-19,21,24H,2-9,14-15,20H2,1H3
InChIKeyYMGVLVCXEZWLMZ-UHFFFAOYSA-N
MW383.02 g/mol
LogP8.57
Rot. Bonds9

About 1-chloro-4-[[4-(4-heptylcyclohexyl)phenyl]methyl]benzene

1-chloro-4-[[4-(4-heptylcyclohexyl)phenyl]methyl]benzene (PubChem CID 139748650) has the molecular formula C26H35Cl and a molecular weight of 383.02 g/mol. Its IUPAC name is 1-chloro-4-[[4-(4-heptylcyclohexyl)phenyl]methyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[[4-(4-heptylcyclohexyl)phenyl]methyl]benzene
PubChem CID139748650
Molecular FormulaC26H35Cl
Molecular Weight383.02 g/mol
Exact Mass382.24
IUPAC Name1-chloro-4-[[4-(4-heptylcyclohexyl)phenyl]methyl]benzene
SMILESCCCCCCCC1CCC(c2ccc(Cc3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C26H35Cl/c1-2-3-4-5-6-7-21-8-14-24(15-9-21)25-16-10-22(11-17-25)20-23-12-18-26(27)19-13-23/h10-13,16-19,21,24H,2-9,14-15,20H2,1H3
InChIKeyYMGVLVCXEZWLMZ-UHFFFAOYSA-N
XLogP8.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.02
LogP ≤ 58.57
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-butylcyclohexyl)-4-chlorobenzene;1-chloro-4-(4-heptylcyclohexyl)benzene;1-chloro-4-(4-pentylcyclohexyl)benzene;1-chloro-4-(4-propylcyclohexyl)benzene
CID 160958151
2-chloro-1,3-difluoro-5-[[4-(4-heptylcyclohexyl)phenyl]methyl]benzene
CID 139748672
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404
1-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-4-chlorobenzene
CID 139724423
1-(4-heptylcyclohexyl)-4-propylbenzene
CID 14941603
1-chloro-4-[4-[2-[4-(4-nonylphenyl)cyclohexyl]ethyl]phenyl]benzene
CID 54067509
1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20538283
1-(4-ethylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538252
1-(4-hexylcyclohexyl)-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20538420
1-(4-octylcyclohexyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20538109
1-chloro-4-[4-(4-pentylcyclohexyl)butyl]benzene
CID 18965949
1-hexyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene
CID 20539243

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[[4-(4-heptylcyclohexyl)phenyl]methyl]benzene?
The IUPAC name of 1-chloro-4-[[4-(4-heptylcyclohexyl)phenyl]methyl]benzene (CID 139748650) is 1-chloro-4-[[4-(4-heptylcyclohexyl)phenyl]methyl]benzene.
What is the SMILES notation for 1-chloro-4-[[4-(4-heptylcyclohexyl)phenyl]methyl]benzene?
The canonical SMILES for 1-chloro-4-[[4-(4-heptylcyclohexyl)phenyl]methyl]benzene is CCCCCCCC1CCC(c2ccc(Cc3ccc(Cl)cc3)cc2)CC1.
What is the InChIKey of 1-chloro-4-[[4-(4-heptylcyclohexyl)phenyl]methyl]benzene?
The InChIKey is YMGVLVCXEZWLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35Cl/c1-2-3-4-5-6-7-21-8-14-24(15-9-21)25-16-10-22(11-17-25)20-23-12-18-26(27)19-13-23/h10-13,16-19,21,24H,2-9,14-15,20H2,1H3.
What are the key properties of 1-chloro-4-[[4-(4-heptylcyclohexyl)phenyl]methyl]benzene?
1-chloro-4-[[4-(4-heptylcyclohexyl)phenyl]methyl]benzene has a molecular weight of 383.02 g/mol, XLogP of 8.57, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[[4-(4-heptylcyclohexyl)phenyl]methyl]benzene is sourced from PubChem (CID 139748650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).