2-(1-chloro-2-cyclopentylethyl)-1,4-dimethoxybenzene

C15H21ClO2 — CID 63429282

IUPAC2-(1-chloro-2-cyclopentylethyl)-1,4-dimethoxybenzene
SMILESCOc1ccc(OC)c(C(Cl)CC2CCCC2)c1
InChIInChI=1S/C15H21ClO2/c1-17-12-7-8-15(18-2)13(10-12)14(16)9-11-5-3-4-6-11/h7-8,10-11,14H,3-6,9H2,1-2H3
InChIKeyDOJDFEDHBNAYHB-UHFFFAOYSA-N
MW268.78 g/mol
LogP4.56
Rot. Bonds5

About 2-(1-chloro-2-cyclopentylethyl)-1,4-dimethoxybenzene

2-(1-chloro-2-cyclopentylethyl)-1,4-dimethoxybenzene (PubChem CID 63429282) has the molecular formula C15H21ClO2 and a molecular weight of 268.78 g/mol. Its IUPAC name is 2-(1-chloro-2-cyclopentylethyl)-1,4-dimethoxybenzene.

Molecular Properties

Compound Name2-(1-chloro-2-cyclopentylethyl)-1,4-dimethoxybenzene
PubChem CID63429282
Molecular FormulaC15H21ClO2
Molecular Weight268.78 g/mol
Exact Mass268.12
IUPAC Name2-(1-chloro-2-cyclopentylethyl)-1,4-dimethoxybenzene
SMILESCOc1ccc(OC)c(C(Cl)CC2CCCC2)c1
InChIInChI=1S/C15H21ClO2/c1-17-12-7-8-15(18-2)13(10-12)14(16)9-11-5-3-4-6-11/h7-8,10-11,14H,3-6,9H2,1-2H3
InChIKeyDOJDFEDHBNAYHB-UHFFFAOYSA-N
XLogP4.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.78
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-chloro-2-cyclobutylethyl)-1-methoxy-4-methylbenzene
CID 103165692
4-bromo-2-(1-chloro-2-cyclobutylethyl)-1-methoxybenzene
CID 103165554
2-[cyclohexyl-(2,5-dimethoxyphenyl)methyl]-1,4-dimethoxybenzene
CID 70442578
1-bromo-2-(1-chloro-2-cyclopentylethyl)-4,5-dimethoxybenzene
CID 63432125
2-(cyclopentylmethoxy)-1-(2,5-dimethoxyphenyl)ethanol
CID 66321390
(R)-cyclohexyl-(2,5-dimethoxyphenyl)methanamine;hydrochloride
CID 171200242
2-(dichloromethyl)-1,4-dimethoxybenzene
CID 23431965
N-[cyclopentyl-(2,5-dimethoxyphenyl)methyl]ethanamine
CID 43489527
2-(1-chloropentyl)-1,4-dimethoxybenzene
CID 61084308
2-bromo-1-(1-bromo-2-cyclohexylethyl)-4-methoxybenzene
CID 63443650
2-[chloro-(2,5-dimethoxyphenyl)methyl]oxane
CID 62215354
[1-(2,5-dimethoxyphenyl)-2-(oxan-4-yl)ethyl]hydrazine
CID 105298736

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloro-2-cyclopentylethyl)-1,4-dimethoxybenzene?
The IUPAC name of 2-(1-chloro-2-cyclopentylethyl)-1,4-dimethoxybenzene (CID 63429282) is 2-(1-chloro-2-cyclopentylethyl)-1,4-dimethoxybenzene.
What is the SMILES notation for 2-(1-chloro-2-cyclopentylethyl)-1,4-dimethoxybenzene?
The canonical SMILES for 2-(1-chloro-2-cyclopentylethyl)-1,4-dimethoxybenzene is COc1ccc(OC)c(C(Cl)CC2CCCC2)c1.
What is the InChIKey of 2-(1-chloro-2-cyclopentylethyl)-1,4-dimethoxybenzene?
The InChIKey is DOJDFEDHBNAYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO2/c1-17-12-7-8-15(18-2)13(10-12)14(16)9-11-5-3-4-6-11/h7-8,10-11,14H,3-6,9H2,1-2H3.
What are the key properties of 2-(1-chloro-2-cyclopentylethyl)-1,4-dimethoxybenzene?
2-(1-chloro-2-cyclopentylethyl)-1,4-dimethoxybenzene has a molecular weight of 268.78 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloro-2-cyclopentylethyl)-1,4-dimethoxybenzene is sourced from PubChem (CID 63429282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).