1-(2-chloro-2-cyclopentylethyl)-2-methoxybenzene

C14H19ClO — CID 63017211

IUPAC1-(2-chloro-2-cyclopentylethyl)-2-methoxybenzene
SMILESCOc1ccccc1CC(Cl)C1CCCC1
InChIInChI=1S/C14H19ClO/c1-16-14-9-5-4-8-12(14)10-13(15)11-6-2-3-7-11/h4-5,8-9,11,13H,2-3,6-7,10H2,1H3
InChIKeyLQDFPXUGSMVPFN-UHFFFAOYSA-N
MW238.76 g/mol
LogP4.04
Rot. Bonds4

About 1-(2-chloro-2-cyclopentylethyl)-2-methoxybenzene

1-(2-chloro-2-cyclopentylethyl)-2-methoxybenzene (PubChem CID 63017211) has the molecular formula C14H19ClO and a molecular weight of 238.76 g/mol. Its IUPAC name is 1-(2-chloro-2-cyclopentylethyl)-2-methoxybenzene.

Molecular Properties

Compound Name1-(2-chloro-2-cyclopentylethyl)-2-methoxybenzene
PubChem CID63017211
Molecular FormulaC14H19ClO
Molecular Weight238.76 g/mol
Exact Mass238.11
IUPAC Name1-(2-chloro-2-cyclopentylethyl)-2-methoxybenzene
SMILESCOc1ccccc1CC(Cl)C1CCCC1
InChIInChI=1S/C14H19ClO/c1-16-14-9-5-4-8-12(14)10-13(15)11-6-2-3-7-11/h4-5,8-9,11,13H,2-3,6-7,10H2,1H3
InChIKeyLQDFPXUGSMVPFN-UHFFFAOYSA-N
XLogP4.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloro-2-cyclohexylethyl)-2-methylbenzene
CID 63542153
1-cyclooctyl-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 65018291
3-[[2-(2-chloro-2-cyclohexylethyl)phenoxy]methyl]-1-methylpiperidine
CID 139662063
2-cyclohexyl-3-(2-methoxyphenyl)propanoic acid
CID 79418094
2-chloro-2-cyclopropyl-N-[(2-methoxyphenyl)methyl]ethanamine
CID 65029818
2-cyclopentyl-3-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 82933866
1-cyclopropyl-3-(2-methoxyphenyl)propane-1,2-diol
CID 103456984
1-cyclobutyl-3-(2-methoxyphenyl)propan-2-ol
CID 65459253
N-[2-(cyclopentylmethyl)-3-(2-methoxyphenyl)propyl]cyclopropanamine
CID 62514068
N-[(2-methoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17331524
trans-(1R,2R)-1-N,2-N-bis[(2-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 71414214
2-(2-methoxyphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65424370

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-2-cyclopentylethyl)-2-methoxybenzene?
The IUPAC name of 1-(2-chloro-2-cyclopentylethyl)-2-methoxybenzene (CID 63017211) is 1-(2-chloro-2-cyclopentylethyl)-2-methoxybenzene.
What is the SMILES notation for 1-(2-chloro-2-cyclopentylethyl)-2-methoxybenzene?
The canonical SMILES for 1-(2-chloro-2-cyclopentylethyl)-2-methoxybenzene is COc1ccccc1CC(Cl)C1CCCC1.
What is the InChIKey of 1-(2-chloro-2-cyclopentylethyl)-2-methoxybenzene?
The InChIKey is LQDFPXUGSMVPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO/c1-16-14-9-5-4-8-12(14)10-13(15)11-6-2-3-7-11/h4-5,8-9,11,13H,2-3,6-7,10H2,1H3.
What are the key properties of 1-(2-chloro-2-cyclopentylethyl)-2-methoxybenzene?
1-(2-chloro-2-cyclopentylethyl)-2-methoxybenzene has a molecular weight of 238.76 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-2-cyclopentylethyl)-2-methoxybenzene is sourced from PubChem (CID 63017211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).