1-(3-chloro-2-methylcyclopentyl)-2,4-dimethoxybenzene

C14H19ClO2 — CID 64910330

IUPAC1-(3-chloro-2-methylcyclopentyl)-2,4-dimethoxybenzene
SMILESCOc1ccc(C2CCC(Cl)C2C)c(OC)c1
InChIInChI=1S/C14H19ClO2/c1-9-11(6-7-13(9)15)12-5-4-10(16-2)8-14(12)17-3/h4-5,8-9,11,13H,6-7H2,1-3H3
InChIKeyZWUQDFOCQJSMLY-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.82
Rot. Bonds3

About 1-(3-chloro-2-methylcyclopentyl)-2,4-dimethoxybenzene

1-(3-chloro-2-methylcyclopentyl)-2,4-dimethoxybenzene (PubChem CID 64910330) has the molecular formula C14H19ClO2 and a molecular weight of 254.76 g/mol. Its IUPAC name is 1-(3-chloro-2-methylcyclopentyl)-2,4-dimethoxybenzene.

Molecular Properties

Compound Name1-(3-chloro-2-methylcyclopentyl)-2,4-dimethoxybenzene
PubChem CID64910330
Molecular FormulaC14H19ClO2
Molecular Weight254.76 g/mol
Exact Mass254.11
IUPAC Name1-(3-chloro-2-methylcyclopentyl)-2,4-dimethoxybenzene
SMILESCOc1ccc(C2CCC(Cl)C2C)c(OC)c1
InChIInChI=1S/C14H19ClO2/c1-9-11(6-7-13(9)15)12-5-4-10(16-2)8-14(12)17-3/h4-5,8-9,11,13H,6-7H2,1-3H3
InChIKeyZWUQDFOCQJSMLY-UHFFFAOYSA-N
XLogP3.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.82
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-(2,4-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 81008806
trans-(1S,2R)-2-(2,4-dimethoxyphenyl)cyclopropan-1-amine
CID 39238725
2-(2,4-dimethoxyphenyl)cycloheptan-1-ol
CID 62800812
2-(2,4-dimethoxyphenyl)-N-methylcycloheptan-1-amine
CID 62802296
(3S,4S)-4-(2,4-dimethoxyphenyl)-1-methylpyrrolidin-3-amine
CID 96594536
3-(2,5-dimethoxyphenyl)-N-ethyl-2-methylcyclopentan-1-amine
CID 64907254
3-(2,4-dimethoxyphenyl)cyclopentan-1-amine
CID 64503651
3-cyclopentyl-4-(2,4-dimethoxyphenyl)piperidine
CID 115927092
3-(2-fluoro-4-methoxyphenyl)-N,2-dimethylcyclopentan-1-amine
CID 103396773
(2S)-2-(2,4-dimethoxyphenyl)piperidine
CID 7022848
3-(2,4-dimethoxyphenyl)pyrrolidine;hydrochloride
CID 169498250
8-(2,4-dimethoxyphenyl)-3-methoxybicyclo[4.2.0]octa-1(6),2,4-triene
CID 54445831

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylcyclopentyl)-2,4-dimethoxybenzene?
The IUPAC name of 1-(3-chloro-2-methylcyclopentyl)-2,4-dimethoxybenzene (CID 64910330) is 1-(3-chloro-2-methylcyclopentyl)-2,4-dimethoxybenzene.
What is the SMILES notation for 1-(3-chloro-2-methylcyclopentyl)-2,4-dimethoxybenzene?
The canonical SMILES for 1-(3-chloro-2-methylcyclopentyl)-2,4-dimethoxybenzene is COc1ccc(C2CCC(Cl)C2C)c(OC)c1.
What is the InChIKey of 1-(3-chloro-2-methylcyclopentyl)-2,4-dimethoxybenzene?
The InChIKey is ZWUQDFOCQJSMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO2/c1-9-11(6-7-13(9)15)12-5-4-10(16-2)8-14(12)17-3/h4-5,8-9,11,13H,6-7H2,1-3H3.
What are the key properties of 1-(3-chloro-2-methylcyclopentyl)-2,4-dimethoxybenzene?
1-(3-chloro-2-methylcyclopentyl)-2,4-dimethoxybenzene has a molecular weight of 254.76 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylcyclopentyl)-2,4-dimethoxybenzene is sourced from PubChem (CID 64910330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).