2-(1-chloropentyl)-1,4-dimethoxybenzene

C13H19ClO2 — CID 61084308

IUPAC2-(1-chloropentyl)-1,4-dimethoxybenzene
SMILESCCCCC(Cl)c1cc(OC)ccc1OC
InChIInChI=1S/C13H19ClO2/c1-4-5-6-12(14)11-9-10(15-2)7-8-13(11)16-3/h7-9,12H,4-6H2,1-3H3
InChIKeyJOXWQBFQPUNONE-UHFFFAOYSA-N
MW242.75 g/mol
LogP4.17
Rot. Bonds6

About 2-(1-chloropentyl)-1,4-dimethoxybenzene

2-(1-chloropentyl)-1,4-dimethoxybenzene (PubChem CID 61084308) has the molecular formula C13H19ClO2 and a molecular weight of 242.75 g/mol. Its IUPAC name is 2-(1-chloropentyl)-1,4-dimethoxybenzene.

Molecular Properties

Compound Name2-(1-chloropentyl)-1,4-dimethoxybenzene
PubChem CID61084308
Molecular FormulaC13H19ClO2
Molecular Weight242.75 g/mol
Exact Mass242.11
IUPAC Name2-(1-chloropentyl)-1,4-dimethoxybenzene
SMILESCCCCC(Cl)c1cc(OC)ccc1OC
InChIInChI=1S/C13H19ClO2/c1-4-5-6-12(14)11-9-10(15-2)7-8-13(11)16-3/h7-9,12H,4-6H2,1-3H3
InChIKeyJOXWQBFQPUNONE-UHFFFAOYSA-N
XLogP4.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 54.17
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

(1S)-1-(2,5-dimethoxyphenyl)pentan-1-amine;hydrochloride
CID 171219764
2-(1-chlorodecyl)-1-methoxy-4-methylbenzene
CID 65428310
1-(1-chlorooctyl)-4-methoxy-2-methylbenzene
CID 63429941
2-(dichloromethyl)-1,4-dimethoxybenzene
CID 23431965
2-[1-chloro-3-(2,2,2-trifluoroethoxy)propyl]-1,4-dimethoxybenzene
CID 103210551
2-(1-chloro-2-ethylbutyl)-1,4-dimethoxybenzene
CID 63429238
1-(2,5-dimethoxyphenyl)-N-methyloctan-1-amine
CID 43481978
1-(2,5-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 86262898
1-(2,5-dimethoxyphenyl)-2-propylpentan-1-ol
CID 82988193
1-[(1R)-1-(2,5-dimethoxyphenyl)pentyl]piperazine
CID 171307438
2-(1-chloro-2-cyclopentylethyl)-1,4-dimethoxybenzene
CID 63429282
1-bromo-4-(1-chlorohexyl)-2,5-dimethoxybenzene
CID 105057265

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloropentyl)-1,4-dimethoxybenzene?
The IUPAC name of 2-(1-chloropentyl)-1,4-dimethoxybenzene (CID 61084308) is 2-(1-chloropentyl)-1,4-dimethoxybenzene.
What is the SMILES notation for 2-(1-chloropentyl)-1,4-dimethoxybenzene?
The canonical SMILES for 2-(1-chloropentyl)-1,4-dimethoxybenzene is CCCCC(Cl)c1cc(OC)ccc1OC.
What is the InChIKey of 2-(1-chloropentyl)-1,4-dimethoxybenzene?
The InChIKey is JOXWQBFQPUNONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO2/c1-4-5-6-12(14)11-9-10(15-2)7-8-13(11)16-3/h7-9,12H,4-6H2,1-3H3.
What are the key properties of 2-(1-chloropentyl)-1,4-dimethoxybenzene?
2-(1-chloropentyl)-1,4-dimethoxybenzene has a molecular weight of 242.75 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloropentyl)-1,4-dimethoxybenzene is sourced from PubChem (CID 61084308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).