1-[[1-(bromomethyl)cyclopentyl]methyl]-4-methylbenzene

C14H19Br — CID 66048468

IUPAC1-[[1-(bromomethyl)cyclopentyl]methyl]-4-methylbenzene
SMILESCc1ccc(CC2(CBr)CCCC2)cc1
InChIInChI=1S/C14H19Br/c1-12-4-6-13(7-5-12)10-14(11-15)8-2-3-9-14/h4-7H,2-3,8-11H2,1H3
InChIKeyCUQSLSGRVRGFCK-UHFFFAOYSA-N
MW267.21 g/mol
LogP4.49
Rot. Bonds3

About 1-[[1-(bromomethyl)cyclopentyl]methyl]-4-methylbenzene

1-[[1-(bromomethyl)cyclopentyl]methyl]-4-methylbenzene (PubChem CID 66048468) has the molecular formula C14H19Br and a molecular weight of 267.21 g/mol. Its IUPAC name is 1-[[1-(bromomethyl)cyclopentyl]methyl]-4-methylbenzene.

Molecular Properties

Compound Name1-[[1-(bromomethyl)cyclopentyl]methyl]-4-methylbenzene
PubChem CID66048468
Molecular FormulaC14H19Br
Molecular Weight267.21 g/mol
Exact Mass266.07
IUPAC Name1-[[1-(bromomethyl)cyclopentyl]methyl]-4-methylbenzene
SMILESCc1ccc(CC2(CBr)CCCC2)cc1
InChIInChI=1S/C14H19Br/c1-12-4-6-13(7-5-12)10-14(11-15)8-2-3-9-14/h4-7H,2-3,8-11H2,1H3
InChIKeyCUQSLSGRVRGFCK-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[[1-(bromomethyl)cyclopentyl]methyl]-4-chlorobenzene
CID 66049339
4-[[1-(bromomethyl)cyclohexyl]methyl]-1,2-dimethylbenzene
CID 66048678
N-[[1-[(4-methylphenyl)methyl]cyclopentyl]methyl]ethanamine
CID 62724999
1-[(1-fluorocyclohexyl)methyl]-4-methylbenzene
CID 84722324
2-[[1-(bromomethyl)cyclohexyl]methyl]-1,4-dimethylbenzene
CID 66050873
1-[[1-(bromomethyl)cyclohexyl]methyl]-4-(trifluoromethyl)benzene
CID 66050201
1-[[1-(bromomethyl)cyclopentyl]methoxy]-4-methylbenzene
CID 65001597
N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methyl-1-(4-methylphenyl)methanamine
CID 65009839
1-[(4-methylphenyl)methyl]cyclopentane-1-carbaldehyde
CID 131113832
2-[1-[(4-methylphenyl)methyl]cyclopropyl]acetic acid
CID 22978374
3-[(4-methylphenyl)methyl]-3-propylazetidine
CID 79451840
2-[[1-(bromomethyl)cyclohexyl]methyl]-5-ethylthiophene
CID 66049979

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(bromomethyl)cyclopentyl]methyl]-4-methylbenzene?
The IUPAC name of 1-[[1-(bromomethyl)cyclopentyl]methyl]-4-methylbenzene (CID 66048468) is 1-[[1-(bromomethyl)cyclopentyl]methyl]-4-methylbenzene.
What is the SMILES notation for 1-[[1-(bromomethyl)cyclopentyl]methyl]-4-methylbenzene?
The canonical SMILES for 1-[[1-(bromomethyl)cyclopentyl]methyl]-4-methylbenzene is Cc1ccc(CC2(CBr)CCCC2)cc1.
What is the InChIKey of 1-[[1-(bromomethyl)cyclopentyl]methyl]-4-methylbenzene?
The InChIKey is CUQSLSGRVRGFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br/c1-12-4-6-13(7-5-12)10-14(11-15)8-2-3-9-14/h4-7H,2-3,8-11H2,1H3.
What are the key properties of 1-[[1-(bromomethyl)cyclopentyl]methyl]-4-methylbenzene?
1-[[1-(bromomethyl)cyclopentyl]methyl]-4-methylbenzene has a molecular weight of 267.21 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(bromomethyl)cyclopentyl]methyl]-4-methylbenzene is sourced from PubChem (CID 66048468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).