2-(chloromethyl)-1-(2-cyclopentylethoxy)-4-methoxybenzene

C15H21ClO2 — CID 114191425

IUPAC2-(chloromethyl)-1-(2-cyclopentylethoxy)-4-methoxybenzene
SMILESCOc1ccc(OCCC2CCCC2)c(CCl)c1
InChIInChI=1S/C15H21ClO2/c1-17-14-6-7-15(13(10-14)11-16)18-9-8-12-4-2-3-5-12/h6-7,10,12H,2-5,8-9,11H2,1H3
InChIKeyWVXNLCRMYZLVPK-UHFFFAOYSA-N
MW268.78 g/mol
LogP4.39
Rot. Bonds6

About 2-(chloromethyl)-1-(2-cyclopentylethoxy)-4-methoxybenzene

2-(chloromethyl)-1-(2-cyclopentylethoxy)-4-methoxybenzene (PubChem CID 114191425) has the molecular formula C15H21ClO2 and a molecular weight of 268.78 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(2-cyclopentylethoxy)-4-methoxybenzene.

Molecular Properties

Compound Name2-(chloromethyl)-1-(2-cyclopentylethoxy)-4-methoxybenzene
PubChem CID114191425
Molecular FormulaC15H21ClO2
Molecular Weight268.78 g/mol
Exact Mass268.12
IUPAC Name2-(chloromethyl)-1-(2-cyclopentylethoxy)-4-methoxybenzene
SMILESCOc1ccc(OCCC2CCCC2)c(CCl)c1
InChIInChI=1S/C15H21ClO2/c1-17-14-6-7-15(13(10-14)11-16)18-9-8-12-4-2-3-5-12/h6-7,10,12H,2-5,8-9,11H2,1H3
InChIKeyWVXNLCRMYZLVPK-UHFFFAOYSA-N
XLogP4.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.78
LogP ≤ 54.39
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-(chloromethyl)-1-(2-cyclohexylethoxy)-4-fluorobenzene
CID 114191447
2-bromo-1-(2-cyclopropylethoxy)-4-methoxybenzene
CID 104707383
2-(chloromethyl)-1-(3-fluoropropoxy)-4-methoxybenzene
CID 81113741
2-(2-cyclobutylethoxy)-4-methoxyaniline
CID 106199765
1-(chloromethyl)-2-(2-cyclohexylethoxy)-3-methoxybenzene
CID 114191426
[2-(2-cyclopropylethoxy)-5-methoxyphenyl]boronic acid
CID 104706134
2-(chloromethyl)-4-methoxy-1-[(4-methoxyphenyl)methoxy]benzene
CID 43268081
2-[2-(cyclopentylmethoxy)-5-methoxyphenyl]ethanamine
CID 61343767
1-bromo-2-(2-cyclobutylethoxymethyl)-4-methoxybenzene
CID 106203735
N-[[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]methyl]cyclopropanamine
CID 61481281
N-[(2,5-dimethoxyphenyl)methyl]cyclopentanamine
CID 792687
5-[2-[2-(chloromethyl)-4-methoxyphenoxy]ethyl]-1-methylpyrazole
CID 103003740

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(2-cyclopentylethoxy)-4-methoxybenzene?
The IUPAC name of 2-(chloromethyl)-1-(2-cyclopentylethoxy)-4-methoxybenzene (CID 114191425) is 2-(chloromethyl)-1-(2-cyclopentylethoxy)-4-methoxybenzene.
What is the SMILES notation for 2-(chloromethyl)-1-(2-cyclopentylethoxy)-4-methoxybenzene?
The canonical SMILES for 2-(chloromethyl)-1-(2-cyclopentylethoxy)-4-methoxybenzene is COc1ccc(OCCC2CCCC2)c(CCl)c1.
What is the InChIKey of 2-(chloromethyl)-1-(2-cyclopentylethoxy)-4-methoxybenzene?
The InChIKey is WVXNLCRMYZLVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO2/c1-17-14-6-7-15(13(10-14)11-16)18-9-8-12-4-2-3-5-12/h6-7,10,12H,2-5,8-9,11H2,1H3.
What are the key properties of 2-(chloromethyl)-1-(2-cyclopentylethoxy)-4-methoxybenzene?
2-(chloromethyl)-1-(2-cyclopentylethoxy)-4-methoxybenzene has a molecular weight of 268.78 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(2-cyclopentylethoxy)-4-methoxybenzene is sourced from PubChem (CID 114191425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).