1-chloro-4-(1-cyclopentyl-2-methylpropyl)benzene

C15H21Cl — CID 171593388

IUPAC1-chloro-4-(1-cyclopentyl-2-methylpropyl)benzene
SMILESCC(C)C(c1ccc(Cl)cc1)C1CCCC1
InChIInChI=1S/C15H21Cl/c1-11(2)15(12-5-3-4-6-12)13-7-9-14(16)10-8-13/h7-12,15H,3-6H2,1-2H3
InChIKeyHMCSTGFQNOBITI-UHFFFAOYSA-N
MW236.79 g/mol
LogP5.27
Rot. Bonds3

About 1-chloro-4-(1-cyclopentyl-2-methylpropyl)benzene

1-chloro-4-(1-cyclopentyl-2-methylpropyl)benzene (PubChem CID 171593388) has the molecular formula C15H21Cl and a molecular weight of 236.79 g/mol. Its IUPAC name is 1-chloro-4-(1-cyclopentyl-2-methylpropyl)benzene.

Molecular Properties

Compound Name1-chloro-4-(1-cyclopentyl-2-methylpropyl)benzene
PubChem CID171593388
Molecular FormulaC15H21Cl
Molecular Weight236.79 g/mol
Exact Mass236.13
IUPAC Name1-chloro-4-(1-cyclopentyl-2-methylpropyl)benzene
SMILESCC(C)C(c1ccc(Cl)cc1)C1CCCC1
InChIInChI=1S/C15H21Cl/c1-11(2)15(12-5-3-4-6-12)13-7-9-14(16)10-8-13/h7-12,15H,3-6H2,1-2H3
InChIKeyHMCSTGFQNOBITI-UHFFFAOYSA-N
XLogP5.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.79
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(4-chlorophenyl)-1-cyclobutyl-N,N,4-trimethylpentan-2-amine
CID 45357527
1-(4-chlorophenyl)-1-cyclopentyl-N-methylmethanamine
CID 43481459
(4-chlorophenyl)-cyclooctylmethanamine
CID 65018889
(4-chlorophenyl)-cyclohexylmethanamine
CID 12559039
N-[2-(4-chlorophenyl)-2-cyclopentylethyl]propan-2-amine
CID 82933059
1-(4-chlorophenyl)-1-cyclohexyl-N-methylmethanamine
CID 43481433
N-[(4-chlorophenyl)-cyclopropylmethyl]-1-cyclohexylethanamine
CID 63477306
2-(4-chlorophenyl)-N-cyclopentyl-3-methylbutanamide
CID 60631278
2-(4-chlorophenyl)-2-cyclopentylacetaldehyde
CID 102576146
1-(4-chlorophenyl)-1-cyclopentylsulfanylpropan-2-amine
CID 55176547
1-chloro-4-(1,2-dicyclohexylethyl)benzene
CID 57050049
(1S,2R)-2-amino-2-(4-chlorophenyl)-1-cyclopentylethanol;hydrochloride
CID 171161173

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(1-cyclopentyl-2-methylpropyl)benzene?
The IUPAC name of 1-chloro-4-(1-cyclopentyl-2-methylpropyl)benzene (CID 171593388) is 1-chloro-4-(1-cyclopentyl-2-methylpropyl)benzene.
What is the SMILES notation for 1-chloro-4-(1-cyclopentyl-2-methylpropyl)benzene?
The canonical SMILES for 1-chloro-4-(1-cyclopentyl-2-methylpropyl)benzene is CC(C)C(c1ccc(Cl)cc1)C1CCCC1.
What is the InChIKey of 1-chloro-4-(1-cyclopentyl-2-methylpropyl)benzene?
The InChIKey is HMCSTGFQNOBITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl/c1-11(2)15(12-5-3-4-6-12)13-7-9-14(16)10-8-13/h7-12,15H,3-6H2,1-2H3.
What are the key properties of 1-chloro-4-(1-cyclopentyl-2-methylpropyl)benzene?
1-chloro-4-(1-cyclopentyl-2-methylpropyl)benzene has a molecular weight of 236.79 g/mol, XLogP of 5.27, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(1-cyclopentyl-2-methylpropyl)benzene is sourced from PubChem (CID 171593388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).