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

C14H19ClO2 — CID 116540274

IUPAC2-(3-chloro-1-methylcyclopentyl)-1,4-dimethoxybenzene
SMILESCOc1ccc(OC)c(C2(C)CCC(Cl)C2)c1
InChIInChI=1S/C14H19ClO2/c1-14(7-6-10(15)9-14)12-8-11(16-2)4-5-13(12)17-3/h4-5,8,10H,6-7,9H2,1-3H3
InChIKeyAOAIQDRSYHZRLW-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.75
Rot. Bonds3

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

2-(3-chloro-1-methylcyclopentyl)-1,4-dimethoxybenzene (PubChem CID 116540274) has the molecular formula C14H19ClO2 and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-(3-chloro-1-methylcyclopentyl)-1,4-dimethoxybenzene.

Molecular Properties

Compound Name2-(3-chloro-1-methylcyclopentyl)-1,4-dimethoxybenzene
PubChem CID116540274
Molecular FormulaC14H19ClO2
Molecular Weight254.76 g/mol
Exact Mass254.11
IUPAC Name2-(3-chloro-1-methylcyclopentyl)-1,4-dimethoxybenzene
SMILESCOc1ccc(OC)c(C2(C)CCC(Cl)C2)c1
InChIInChI=1S/C14H19ClO2/c1-14(7-6-10(15)9-14)12-8-11(16-2)4-5-13(12)17-3/h4-5,8,10H,6-7,9H2,1-3H3
InChIKeyAOAIQDRSYHZRLW-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
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

3-(2,5-dimethoxyphenyl)-3-methylcyclopentan-1-amine
CID 116538682
4-(2,5-dimethoxyphenyl)-4-methylpiperidine
CID 63156571
4-(2,5-dimethoxyphenyl)-4-methyloxane-2,6-dione
CID 82133552
1-(2,5-dimethoxyphenyl)-3-methylcyclohexan-1-ol
CID 62802493
2-(1-chloro-2,2,3,3-tetramethylcyclopropyl)-1,4-dimethoxybenzene
CID 15162635
1-(2,5-dimethoxyphenyl)-2-methylcyclopentan-1-ol
CID 65049668
3-(2,5-dimethoxyphenyl)-3,5,5-trimethylpiperidine
CID 82303319
(2,4-dimethoxyphenyl)-(4,4-dimethylcyclohexyl)methanone
CID 65391983
1-(2,5-dimethoxyphenyl)-3,3-dimethylcyclopentan-1-ol
CID 80699237
1-(2,5-dimethoxyphenyl)-2,2-dimethylcyclopentan-1-ol
CID 79862324
2-(2,5-dimethoxyphenyl)-2-propan-2-ylpyrrolidine
CID 66465821
4-(2,5-dimethoxyphenyl)piperidine-4-carboxylic acid
CID 82091719

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-1-methylcyclopentyl)-1,4-dimethoxybenzene?
The IUPAC name of 2-(3-chloro-1-methylcyclopentyl)-1,4-dimethoxybenzene (CID 116540274) is 2-(3-chloro-1-methylcyclopentyl)-1,4-dimethoxybenzene.
What is the SMILES notation for 2-(3-chloro-1-methylcyclopentyl)-1,4-dimethoxybenzene?
The canonical SMILES for 2-(3-chloro-1-methylcyclopentyl)-1,4-dimethoxybenzene is COc1ccc(OC)c(C2(C)CCC(Cl)C2)c1.
What is the InChIKey of 2-(3-chloro-1-methylcyclopentyl)-1,4-dimethoxybenzene?
The InChIKey is AOAIQDRSYHZRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO2/c1-14(7-6-10(15)9-14)12-8-11(16-2)4-5-13(12)17-3/h4-5,8,10H,6-7,9H2,1-3H3.
What are the key properties of 2-(3-chloro-1-methylcyclopentyl)-1,4-dimethoxybenzene?
2-(3-chloro-1-methylcyclopentyl)-1,4-dimethoxybenzene has a molecular weight of 254.76 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-1-methylcyclopentyl)-1,4-dimethoxybenzene is sourced from PubChem (CID 116540274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).