1-chloro-4-(1,2-dicyclohexylethyl)benzene

C20H29Cl — CID 57050049

IUPAC1-chloro-4-(1,2-dicyclohexylethyl)benzene
SMILESClc1ccc(C(CC2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C20H29Cl/c21-19-13-11-18(12-14-19)20(17-9-5-2-6-10-17)15-16-7-3-1-4-8-16/h11-14,16-17,20H,1-10,15H2
InChIKeyICXCLWJWCYOWJN-UHFFFAOYSA-N
MW304.90 g/mol
LogP6.97
Rot. Bonds4

About 1-chloro-4-(1,2-dicyclohexylethyl)benzene

1-chloro-4-(1,2-dicyclohexylethyl)benzene (PubChem CID 57050049) has the molecular formula C20H29Cl and a molecular weight of 304.90 g/mol. Its IUPAC name is 1-chloro-4-(1,2-dicyclohexylethyl)benzene.

Molecular Properties

Compound Name1-chloro-4-(1,2-dicyclohexylethyl)benzene
PubChem CID57050049
Molecular FormulaC20H29Cl
Molecular Weight304.90 g/mol
Exact Mass304.20
IUPAC Name1-chloro-4-(1,2-dicyclohexylethyl)benzene
SMILESClc1ccc(C(CC2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C20H29Cl/c21-19-13-11-18(12-14-19)20(17-9-5-2-6-10-17)15-16-7-3-1-4-8-16/h11-14,16-17,20H,1-10,15H2
InChIKeyICXCLWJWCYOWJN-UHFFFAOYSA-N
XLogP6.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.90
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(4-chlorophenyl)-2-cyclohexylethanol
CID 79018633
N-[2-(4-chlorophenyl)-2-cyclopentylethyl]propan-2-amine
CID 82933059
(4-chlorophenyl)-cyclooctylmethanamine
CID 65018889
(4-chlorophenyl)-cyclohexylmethanamine
CID 12559039
2-(4-chlorophenyl)-2-cyclohexylacetonitrile
CID 12603992
2-(4-chlorophenyl)-3-cyclopentyl-N-methylpropan-1-amine
CID 79441644
2-(4-chlorophenyl)-2-cyclopentylacetaldehyde
CID 102576146
1-(4-chlorophenyl)-3-cyclohexylpropan-1-ol
CID 55197705
2-(4-chlorophenyl)-3-cyclopentyl-N-ethylpropan-1-amine
CID 79441863
1-(1-bromo-2-cyclopropylethyl)-4-chlorobenzene
CID 63437413
1-chloro-4-(1-cyclopentyl-2-methylpropyl)benzene
CID 171593388
cis-(1S,2S)-2-[(1R)-2-amino-1-(4-chlorophenyl)ethyl]cycloheptan-1-ol
CID 57084469

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(1,2-dicyclohexylethyl)benzene?
The IUPAC name of 1-chloro-4-(1,2-dicyclohexylethyl)benzene (CID 57050049) is 1-chloro-4-(1,2-dicyclohexylethyl)benzene.
What is the SMILES notation for 1-chloro-4-(1,2-dicyclohexylethyl)benzene?
The canonical SMILES for 1-chloro-4-(1,2-dicyclohexylethyl)benzene is Clc1ccc(C(CC2CCCCC2)C2CCCCC2)cc1.
What is the InChIKey of 1-chloro-4-(1,2-dicyclohexylethyl)benzene?
The InChIKey is ICXCLWJWCYOWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29Cl/c21-19-13-11-18(12-14-19)20(17-9-5-2-6-10-17)15-16-7-3-1-4-8-16/h11-14,16-17,20H,1-10,15H2.
What are the key properties of 1-chloro-4-(1,2-dicyclohexylethyl)benzene?
1-chloro-4-(1,2-dicyclohexylethyl)benzene has a molecular weight of 304.90 g/mol, XLogP of 6.97, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(1,2-dicyclohexylethyl)benzene is sourced from PubChem (CID 57050049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).