1-[[1-(chloromethyl)cyclopentyl]methyl]-3-methoxybenzene

C14H19ClO — CID 66034461

IUPAC1-[[1-(chloromethyl)cyclopentyl]methyl]-3-methoxybenzene
SMILESCOc1cccc(CC2(CCl)CCCC2)c1
InChIInChI=1S/C14H19ClO/c1-16-13-6-4-5-12(9-13)10-14(11-15)7-2-3-8-14/h4-6,9H,2-3,7-8,10-11H2,1H3
InChIKeyWTTUQPAPLWOCMG-UHFFFAOYSA-N
MW238.76 g/mol
LogP4.04
Rot. Bonds4

About 1-[[1-(chloromethyl)cyclopentyl]methyl]-3-methoxybenzene

1-[[1-(chloromethyl)cyclopentyl]methyl]-3-methoxybenzene (PubChem CID 66034461) has the molecular formula C14H19ClO and a molecular weight of 238.76 g/mol. Its IUPAC name is 1-[[1-(chloromethyl)cyclopentyl]methyl]-3-methoxybenzene.

Molecular Properties

Compound Name1-[[1-(chloromethyl)cyclopentyl]methyl]-3-methoxybenzene
PubChem CID66034461
Molecular FormulaC14H19ClO
Molecular Weight238.76 g/mol
Exact Mass238.11
IUPAC Name1-[[1-(chloromethyl)cyclopentyl]methyl]-3-methoxybenzene
SMILESCOc1cccc(CC2(CCl)CCCC2)c1
InChIInChI=1S/C14H19ClO/c1-16-13-6-4-5-12(9-13)10-14(11-15)7-2-3-8-14/h4-6,9H,2-3,7-8,10-11H2,1H3
InChIKeyWTTUQPAPLWOCMG-UHFFFAOYSA-N
XLogP4.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 54.04
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

[1-[(3-methoxyphenyl)methyl]cyclooctyl]methanamine
CID 80603141
N-[[1-[(3-methoxyphenyl)methyl]cyclopentyl]methyl]propan-1-amine
CID 62724802
1-[(3-methoxyphenyl)methyl]cyclopropan-1-ol
CID 62669869
N-[[1-[(3-methoxyphenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine
CID 65194679
1-[(1-fluorocyclobutyl)methyl]-3-methoxybenzene
CID 84720329
1-[(3-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine
CID 82129111
1-[(3-methoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-ol
CID 79862440
1-[[1-(chloromethyl)cyclopentyl]methyl]-3-(trifluoromethyl)benzene
CID 66034453
1-[(3-methoxyphenyl)methyl]cyclooctane-1-carboxylic acid
CID 80611133
1-[(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 69477572
2-[(3-methoxyphenyl)methyl]-1,3-dihydroinden-2-ol
CID 65147763
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-methoxybenzamide
CID 103969532

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(chloromethyl)cyclopentyl]methyl]-3-methoxybenzene?
The IUPAC name of 1-[[1-(chloromethyl)cyclopentyl]methyl]-3-methoxybenzene (CID 66034461) is 1-[[1-(chloromethyl)cyclopentyl]methyl]-3-methoxybenzene.
What is the SMILES notation for 1-[[1-(chloromethyl)cyclopentyl]methyl]-3-methoxybenzene?
The canonical SMILES for 1-[[1-(chloromethyl)cyclopentyl]methyl]-3-methoxybenzene is COc1cccc(CC2(CCl)CCCC2)c1.
What is the InChIKey of 1-[[1-(chloromethyl)cyclopentyl]methyl]-3-methoxybenzene?
The InChIKey is WTTUQPAPLWOCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO/c1-16-13-6-4-5-12(9-13)10-14(11-15)7-2-3-8-14/h4-6,9H,2-3,7-8,10-11H2,1H3.
What are the key properties of 1-[[1-(chloromethyl)cyclopentyl]methyl]-3-methoxybenzene?
1-[[1-(chloromethyl)cyclopentyl]methyl]-3-methoxybenzene has a molecular weight of 238.76 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(chloromethyl)cyclopentyl]methyl]-3-methoxybenzene is sourced from PubChem (CID 66034461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).