1-(2-chloropropyl)-4-cyclohexylbenzene

C15H21Cl — CID 82255538

IUPAC1-(2-chloropropyl)-4-cyclohexylbenzene
SMILESCC(Cl)Cc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C15H21Cl/c1-12(16)11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h7-10,12,14H,2-6,11H2,1H3
InChIKeyKHIRFWRVXUPVCK-UHFFFAOYSA-N
MW236.79 g/mol
LogP4.90
Rot. Bonds3

About 1-(2-chloropropyl)-4-cyclohexylbenzene

1-(2-chloropropyl)-4-cyclohexylbenzene (PubChem CID 82255538) has the molecular formula C15H21Cl and a molecular weight of 236.79 g/mol. Its IUPAC name is 1-(2-chloropropyl)-4-cyclohexylbenzene.

Molecular Properties

Compound Name1-(2-chloropropyl)-4-cyclohexylbenzene
PubChem CID82255538
Molecular FormulaC15H21Cl
Molecular Weight236.79 g/mol
Exact Mass236.13
IUPAC Name1-(2-chloropropyl)-4-cyclohexylbenzene
SMILESCC(Cl)Cc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C15H21Cl/c1-12(16)11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h7-10,12,14H,2-6,11H2,1H3
InChIKeyKHIRFWRVXUPVCK-UHFFFAOYSA-N
XLogP4.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.79
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-(4-cyclohexylphenyl)-2-methylpropan-1-amine
CID 116924713
1-(4-cyclohexylphenyl)-N-methylpropan-2-amine
CID 82262296
2-(4-cyclohexylphenyl)-1-(methylamino)ethanol
CID 175264213
4-(4-cyclohexylphenyl)-3-methylbutanoic acid
CID 116926748
1-[1-(4-cyclohexylphenyl)propan-2-yl]piperazine
CID 82255626
1-(4-cyclopropylphenyl)propan-2-amine
CID 79983899
(4-cyclohexylphenyl)methanamine
CID 22246867
1-cyclohexyl-4-(methylsulfanylmethyl)benzene
CID 59166778
5-(4-cyclopentylphenyl)-4-methylpentanoic acid
CID 70538154
N-[(4-cyclopropylphenyl)methyl]propan-2-amine
CID 62491335
2-(4-cycloheptylphenyl)acetic acid
CID 21484425
N-(chloromethyl)-1-(4-cyclohexylphenyl)-N-methylmethanamine
CID 115263158

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloropropyl)-4-cyclohexylbenzene?
The IUPAC name of 1-(2-chloropropyl)-4-cyclohexylbenzene (CID 82255538) is 1-(2-chloropropyl)-4-cyclohexylbenzene.
What is the SMILES notation for 1-(2-chloropropyl)-4-cyclohexylbenzene?
The canonical SMILES for 1-(2-chloropropyl)-4-cyclohexylbenzene is CC(Cl)Cc1ccc(C2CCCCC2)cc1.
What is the InChIKey of 1-(2-chloropropyl)-4-cyclohexylbenzene?
The InChIKey is KHIRFWRVXUPVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl/c1-12(16)11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h7-10,12,14H,2-6,11H2,1H3.
What are the key properties of 1-(2-chloropropyl)-4-cyclohexylbenzene?
1-(2-chloropropyl)-4-cyclohexylbenzene has a molecular weight of 236.79 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloropropyl)-4-cyclohexylbenzene is sourced from PubChem (CID 82255538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).