1-[chloro(cyclohexyl)methyl]-4-propylbenzene

C16H23Cl — CID 63432346

IUPAC1-[chloro(cyclohexyl)methyl]-4-propylbenzene
SMILESCCCc1ccc(C(Cl)C2CCCCC2)cc1
InChIInChI=1S/C16H23Cl/c1-2-6-13-9-11-15(12-10-13)16(17)14-7-4-3-5-8-14/h9-12,14,16H,2-8H2,1H3
InChIKeyFPNXYOIAPJFERL-UHFFFAOYSA-N
MW250.81 g/mol
LogP5.50
Rot. Bonds4

About 1-[chloro(cyclohexyl)methyl]-4-propylbenzene

1-[chloro(cyclohexyl)methyl]-4-propylbenzene (PubChem CID 63432346) has the molecular formula C16H23Cl and a molecular weight of 250.81 g/mol. Its IUPAC name is 1-[chloro(cyclohexyl)methyl]-4-propylbenzene.

Molecular Properties

Compound Name1-[chloro(cyclohexyl)methyl]-4-propylbenzene
PubChem CID63432346
Molecular FormulaC16H23Cl
Molecular Weight250.81 g/mol
Exact Mass250.15
IUPAC Name1-[chloro(cyclohexyl)methyl]-4-propylbenzene
SMILESCCCc1ccc(C(Cl)C2CCCCC2)cc1
InChIInChI=1S/C16H23Cl/c1-2-6-13-9-11-15(12-10-13)16(17)14-7-4-3-5-8-14/h9-12,14,16H,2-8H2,1H3
InChIKeyFPNXYOIAPJFERL-UHFFFAOYSA-N
XLogP5.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.81
LogP ≤ 55.50
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

[(4-butan-2-ylphenyl)-chloromethyl]cyclooctane
CID 65023335
1-[chloro-(2-methylcyclopropyl)methyl]-4-propylbenzene
CID 63432112
1-[chloro(cyclopropyl)methyl]-4-(2-methoxyethyl)benzene
CID 61084514
1-(4-butylphenyl)-1-cyclooctyl-N-methylmethanamine
CID 65018164
1-butyl-4-(1-chloro-3-cyclohexylpropyl)benzene
CID 63431518
1-butyl-4-[chloro-(2-methylcyclopropyl)methyl]benzene
CID 63431901
N-[(4-butylphenyl)-cyclohexylmethyl]propan-1-amine
CID 63503869
4-[chloro(cyclohexyl)methyl]-N,N-diethylbenzamide
CID 23447932
2-(cycloheptylamino)-1-(4-propylphenyl)propan-1-ol
CID 82316057
2-cyclopentyl-N-methyl-1-(4-propylphenyl)ethanamine
CID 60771358
N-[(4-propylphenyl)methyl]cyclohexanamine
CID 94685509
(4-butylphenyl)-cyclobutylmethanamine
CID 43198183

Frequently Asked Questions

What is the IUPAC name of 1-[chloro(cyclohexyl)methyl]-4-propylbenzene?
The IUPAC name of 1-[chloro(cyclohexyl)methyl]-4-propylbenzene (CID 63432346) is 1-[chloro(cyclohexyl)methyl]-4-propylbenzene.
What is the SMILES notation for 1-[chloro(cyclohexyl)methyl]-4-propylbenzene?
The canonical SMILES for 1-[chloro(cyclohexyl)methyl]-4-propylbenzene is CCCc1ccc(C(Cl)C2CCCCC2)cc1.
What is the InChIKey of 1-[chloro(cyclohexyl)methyl]-4-propylbenzene?
The InChIKey is FPNXYOIAPJFERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl/c1-2-6-13-9-11-15(12-10-13)16(17)14-7-4-3-5-8-14/h9-12,14,16H,2-8H2,1H3.
What are the key properties of 1-[chloro(cyclohexyl)methyl]-4-propylbenzene?
1-[chloro(cyclohexyl)methyl]-4-propylbenzene has a molecular weight of 250.81 g/mol, XLogP of 5.50, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro(cyclohexyl)methyl]-4-propylbenzene is sourced from PubChem (CID 63432346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).