1-(2-chloro-4-cyclopentylbutyl)-3-methoxybenzene

C16H23ClO — CID 63543691

IUPAC1-(2-chloro-4-cyclopentylbutyl)-3-methoxybenzene
SMILESCOc1cccc(CC(Cl)CCC2CCCC2)c1
InChIInChI=1S/C16H23ClO/c1-18-16-8-4-7-14(12-16)11-15(17)10-9-13-5-2-3-6-13/h4,7-8,12-13,15H,2-3,5-6,9-11H2,1H3
InChIKeyDAWRXPBNHOVFTN-UHFFFAOYSA-N
MW266.81 g/mol
LogP4.82
Rot. Bonds6

About 1-(2-chloro-4-cyclopentylbutyl)-3-methoxybenzene

1-(2-chloro-4-cyclopentylbutyl)-3-methoxybenzene (PubChem CID 63543691) has the molecular formula C16H23ClO and a molecular weight of 266.81 g/mol. Its IUPAC name is 1-(2-chloro-4-cyclopentylbutyl)-3-methoxybenzene.

Molecular Properties

Compound Name1-(2-chloro-4-cyclopentylbutyl)-3-methoxybenzene
PubChem CID63543691
Molecular FormulaC16H23ClO
Molecular Weight266.81 g/mol
Exact Mass266.14
IUPAC Name1-(2-chloro-4-cyclopentylbutyl)-3-methoxybenzene
SMILESCOc1cccc(CC(Cl)CCC2CCCC2)c1
InChIInChI=1S/C16H23ClO/c1-18-16-8-4-7-14(12-16)11-15(17)10-9-13-5-2-3-6-13/h4,7-8,12-13,15H,2-3,5-6,9-11H2,1H3
InChIKeyDAWRXPBNHOVFTN-UHFFFAOYSA-N
XLogP4.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.81
LogP ≤ 54.82
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

[2-bromo-3-(3-methoxyphenyl)propyl]cycloheptane
CID 114458981
1-cyclopentyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine
CID 61063977
1-cyclohexyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine
CID 61064502
1-chloro-2-(3-methoxyphenyl)ethanamine
CID 67681258
1-cyclohexyl-2-(3-methoxyphenyl)-N-methylethanamine
CID 61066272
1-chloro-3-[(3-methoxyphenyl)methyl]cycloheptane
CID 64509318
[1-(7-bicyclo[4.1.0]heptanyl)-2-(3-methoxyphenyl)ethyl]hydrazine
CID 105295382
1-[2-chloro-2-(2-methylcyclopropyl)ethyl]-3-methoxybenzene
CID 63017777
1-cyclobutyl-2-(3-methoxyphenyl)ethanol
CID 63017891
2-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]ethanamine
CID 107852145
1-cyclobutyl-N-[(3-methoxyphenyl)methyl]methanamine
CID 43298537
4-cyclopentyl-1-(3-methylphenyl)butan-2-ol
CID 55149919

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-cyclopentylbutyl)-3-methoxybenzene?
The IUPAC name of 1-(2-chloro-4-cyclopentylbutyl)-3-methoxybenzene (CID 63543691) is 1-(2-chloro-4-cyclopentylbutyl)-3-methoxybenzene.
What is the SMILES notation for 1-(2-chloro-4-cyclopentylbutyl)-3-methoxybenzene?
The canonical SMILES for 1-(2-chloro-4-cyclopentylbutyl)-3-methoxybenzene is COc1cccc(CC(Cl)CCC2CCCC2)c1.
What is the InChIKey of 1-(2-chloro-4-cyclopentylbutyl)-3-methoxybenzene?
The InChIKey is DAWRXPBNHOVFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClO/c1-18-16-8-4-7-14(12-16)11-15(17)10-9-13-5-2-3-6-13/h4,7-8,12-13,15H,2-3,5-6,9-11H2,1H3.
What are the key properties of 1-(2-chloro-4-cyclopentylbutyl)-3-methoxybenzene?
1-(2-chloro-4-cyclopentylbutyl)-3-methoxybenzene has a molecular weight of 266.81 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-cyclopentylbutyl)-3-methoxybenzene is sourced from PubChem (CID 63543691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).