2-chloro-1-heptyl-4-(4-pentylphenyl)benzene

C24H33Cl — CID 67842492

IUPAC2-chloro-1-heptyl-4-(4-pentylphenyl)benzene
SMILESCCCCCCCc1ccc(-c2ccc(CCCCC)cc2)cc1Cl
InChIInChI=1S/C24H33Cl/c1-3-5-7-8-10-12-22-17-18-23(19-24(22)25)21-15-13-20(14-16-21)11-9-6-4-2/h13-19H,3-12H2,1-2H3
InChIKeyGEGZHLIHAVEWKY-UHFFFAOYSA-N
MW356.98 g/mol
LogP8.25
Rot. Bonds11

About 2-chloro-1-heptyl-4-(4-pentylphenyl)benzene

2-chloro-1-heptyl-4-(4-pentylphenyl)benzene (PubChem CID 67842492) has the molecular formula C24H33Cl and a molecular weight of 356.98 g/mol. Its IUPAC name is 2-chloro-1-heptyl-4-(4-pentylphenyl)benzene.

Molecular Properties

Compound Name2-chloro-1-heptyl-4-(4-pentylphenyl)benzene
PubChem CID67842492
Molecular FormulaC24H33Cl
Molecular Weight356.98 g/mol
Exact Mass356.23
IUPAC Name2-chloro-1-heptyl-4-(4-pentylphenyl)benzene
SMILESCCCCCCCc1ccc(-c2ccc(CCCCC)cc2)cc1Cl
InChIInChI=1S/C24H33Cl/c1-3-5-7-8-10-12-22-17-18-23(19-24(22)25)21-15-13-20(14-16-21)11-9-6-4-2/h13-19H,3-12H2,1-2H3
InChIKeyGEGZHLIHAVEWKY-UHFFFAOYSA-N
XLogP8.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.98
LogP ≤ 58.25
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

2-(3-chloro-4-pentylphenyl)-5-(4-pentylphenyl)pyrimidine
CID 19007988
2-fluoro-4-(4-heptylphenyl)-1-pentylbenzene
CID 67842495
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
2-methyl-1-pentyl-4-[4-(4-pentylphenyl)phenyl]benzene
CID 173354909
6-decyl-2-(6-decylazulen-2-yl)azulene
CID 177425014
1-heptyl-4-(4-propan-2-ylphenyl)benzene
CID 58842076
1,3-bis[4-[2-[4-(4-hexylphenyl)phenyl]ethyl]phenyl]benzene
CID 58085049
1,3-bis[4-[2-(4-hexylphenyl)ethyl]phenyl]benzene
CID 58085021
1-(chloromethyl)-4-(4-nonylphenyl)benzene
CID 21284608
2,3-dichloro-5-(4-pentylphenyl)pyridine
CID 23190641
2,5-bis(3-chloro-4-pentylphenyl)pyrimidine
CID 19008089
3-chloro-4-hexylaniline
CID 139793989

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-heptyl-4-(4-pentylphenyl)benzene?
The IUPAC name of 2-chloro-1-heptyl-4-(4-pentylphenyl)benzene (CID 67842492) is 2-chloro-1-heptyl-4-(4-pentylphenyl)benzene.
What is the SMILES notation for 2-chloro-1-heptyl-4-(4-pentylphenyl)benzene?
The canonical SMILES for 2-chloro-1-heptyl-4-(4-pentylphenyl)benzene is CCCCCCCc1ccc(-c2ccc(CCCCC)cc2)cc1Cl.
What is the InChIKey of 2-chloro-1-heptyl-4-(4-pentylphenyl)benzene?
The InChIKey is GEGZHLIHAVEWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33Cl/c1-3-5-7-8-10-12-22-17-18-23(19-24(22)25)21-15-13-20(14-16-21)11-9-6-4-2/h13-19H,3-12H2,1-2H3.
What are the key properties of 2-chloro-1-heptyl-4-(4-pentylphenyl)benzene?
2-chloro-1-heptyl-4-(4-pentylphenyl)benzene has a molecular weight of 356.98 g/mol, XLogP of 8.25, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-heptyl-4-(4-pentylphenyl)benzene is sourced from PubChem (CID 67842492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).