1-chloro-3-(3-pentylcyclohexyl)benzene

C17H25Cl — CID 141136267

IUPAC1-chloro-3-(3-pentylcyclohexyl)benzene
SMILESCCCCCC1CCCC(c2cccc(Cl)c2)C1
InChIInChI=1S/C17H25Cl/c1-2-3-4-7-14-8-5-9-15(12-14)16-10-6-11-17(18)13-16/h6,10-11,13-15H,2-5,7-9,12H2,1H3
InChIKeyPGSYEVUIERLBCY-UHFFFAOYSA-N
MW264.84 g/mol
LogP6.19
Rot. Bonds5

About 1-chloro-3-(3-pentylcyclohexyl)benzene

1-chloro-3-(3-pentylcyclohexyl)benzene (PubChem CID 141136267) has the molecular formula C17H25Cl and a molecular weight of 264.84 g/mol. Its IUPAC name is 1-chloro-3-(3-pentylcyclohexyl)benzene.

Molecular Properties

Compound Name1-chloro-3-(3-pentylcyclohexyl)benzene
PubChem CID141136267
Molecular FormulaC17H25Cl
Molecular Weight264.84 g/mol
Exact Mass264.16
IUPAC Name1-chloro-3-(3-pentylcyclohexyl)benzene
SMILESCCCCCC1CCCC(c2cccc(Cl)c2)C1
InChIInChI=1S/C17H25Cl/c1-2-3-4-7-14-8-5-9-15(12-14)16-10-6-11-17(18)13-16/h6,10-11,13-15H,2-5,7-9,12H2,1H3
InChIKeyPGSYEVUIERLBCY-UHFFFAOYSA-N
XLogP6.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.84
LogP ≤ 56.19
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

cis-(1S,3R)-3-(3-chlorophenyl)cyclohexan-1-amine
CID 95376050
1-chloro-3-cyclobutylbenzene;methane
CID 178166077
1,3-dipentylcyclohexane
CID 54105663
1,3-diheptylcyclohexane
CID 19973333
2-heptyl-6-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22384134
(4aR,6R,8aR)-2-hexyl-6-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809581
1-bromo-4-(3-propylcyclohexyl)benzene
CID 141294592
1-[3-(3-chlorophenyl)cyclobutyl]-2-(cyclobutylmethyl)guanidine
CID 120671626
4-(3-butylcyclohexyl)-2,6-difluorobenzonitrile
CID 173360724
1-methyl-3-octadecylcyclohexane
CID 175465709
1-methyl-3-octylcyclohexane
CID 54298070
1-[3-(3-chlorophenyl)cyclobutyl]-2-(cyclobutylmethyl)guanidine;hydroiodide
CID 120671625

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(3-pentylcyclohexyl)benzene?
The IUPAC name of 1-chloro-3-(3-pentylcyclohexyl)benzene (CID 141136267) is 1-chloro-3-(3-pentylcyclohexyl)benzene.
What is the SMILES notation for 1-chloro-3-(3-pentylcyclohexyl)benzene?
The canonical SMILES for 1-chloro-3-(3-pentylcyclohexyl)benzene is CCCCCC1CCCC(c2cccc(Cl)c2)C1.
What is the InChIKey of 1-chloro-3-(3-pentylcyclohexyl)benzene?
The InChIKey is PGSYEVUIERLBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl/c1-2-3-4-7-14-8-5-9-15(12-14)16-10-6-11-17(18)13-16/h6,10-11,13-15H,2-5,7-9,12H2,1H3.
What are the key properties of 1-chloro-3-(3-pentylcyclohexyl)benzene?
1-chloro-3-(3-pentylcyclohexyl)benzene has a molecular weight of 264.84 g/mol, XLogP of 6.19, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(3-pentylcyclohexyl)benzene is sourced from PubChem (CID 141136267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).