1-chloro-4-cyclopentyl-2-(2,2-dimethylpropyl)benzene

C16H23Cl — CID 162059670

IUPAC1-chloro-4-cyclopentyl-2-(2,2-dimethylpropyl)benzene
SMILESCC(C)(C)Cc1cc(C2CCCC2)ccc1Cl
InChIInChI=1S/C16H23Cl/c1-16(2,3)11-14-10-13(8-9-15(14)17)12-6-4-5-7-12/h8-10,12H,4-7,11H2,1-3H3
InChIKeyRVIWPVXJQDSQQB-UHFFFAOYSA-N
MW250.81 g/mol
LogP5.59
Rot. Bonds2

About 1-chloro-4-cyclopentyl-2-(2,2-dimethylpropyl)benzene

1-chloro-4-cyclopentyl-2-(2,2-dimethylpropyl)benzene (PubChem CID 162059670) has the molecular formula C16H23Cl and a molecular weight of 250.81 g/mol. Its IUPAC name is 1-chloro-4-cyclopentyl-2-(2,2-dimethylpropyl)benzene.

Molecular Properties

Compound Name1-chloro-4-cyclopentyl-2-(2,2-dimethylpropyl)benzene
PubChem CID162059670
Molecular FormulaC16H23Cl
Molecular Weight250.81 g/mol
Exact Mass250.15
IUPAC Name1-chloro-4-cyclopentyl-2-(2,2-dimethylpropyl)benzene
SMILESCC(C)(C)Cc1cc(C2CCCC2)ccc1Cl
InChIInChI=1S/C16H23Cl/c1-16(2,3)11-14-10-13(8-9-15(14)17)12-6-4-5-7-12/h8-10,12H,4-7,11H2,1-3H3
InChIKeyRVIWPVXJQDSQQB-UHFFFAOYSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.81
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-cyclopentyl-2-(2,2-dimethylpropyl)benzene?
The IUPAC name of 1-chloro-4-cyclopentyl-2-(2,2-dimethylpropyl)benzene (CID 162059670) is 1-chloro-4-cyclopentyl-2-(2,2-dimethylpropyl)benzene.
What is the SMILES notation for 1-chloro-4-cyclopentyl-2-(2,2-dimethylpropyl)benzene?
The canonical SMILES for 1-chloro-4-cyclopentyl-2-(2,2-dimethylpropyl)benzene is CC(C)(C)Cc1cc(C2CCCC2)ccc1Cl.
What is the InChIKey of 1-chloro-4-cyclopentyl-2-(2,2-dimethylpropyl)benzene?
The InChIKey is RVIWPVXJQDSQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl/c1-16(2,3)11-14-10-13(8-9-15(14)17)12-6-4-5-7-12/h8-10,12H,4-7,11H2,1-3H3.
What are the key properties of 1-chloro-4-cyclopentyl-2-(2,2-dimethylpropyl)benzene?
1-chloro-4-cyclopentyl-2-(2,2-dimethylpropyl)benzene has a molecular weight of 250.81 g/mol, XLogP of 5.59, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-cyclopentyl-2-(2,2-dimethylpropyl)benzene is sourced from PubChem (CID 162059670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).