2-[bromo(cyclopentyl)methyl]-4-chloro-1-methoxybenzene

C13H16BrClO — CID 104546446

IUPAC2-[bromo(cyclopentyl)methyl]-4-chloro-1-methoxybenzene
SMILESCOc1ccc(Cl)cc1C(Br)C1CCCC1
InChIInChI=1S/C13H16BrClO/c1-16-12-7-6-10(15)8-11(12)13(14)9-4-2-3-5-9/h6-9,13H,2-5H2,1H3
InChIKeyJEPCRFAOUZYTQY-UHFFFAOYSA-N
MW303.63 g/mol
LogP4.97
Rot. Bonds3

About 2-[bromo(cyclopentyl)methyl]-4-chloro-1-methoxybenzene

2-[bromo(cyclopentyl)methyl]-4-chloro-1-methoxybenzene (PubChem CID 104546446) has the molecular formula C13H16BrClO and a molecular weight of 303.63 g/mol. Its IUPAC name is 2-[bromo(cyclopentyl)methyl]-4-chloro-1-methoxybenzene.

Molecular Properties

Compound Name2-[bromo(cyclopentyl)methyl]-4-chloro-1-methoxybenzene
PubChem CID104546446
Molecular FormulaC13H16BrClO
Molecular Weight303.63 g/mol
Exact Mass302.01
IUPAC Name2-[bromo(cyclopentyl)methyl]-4-chloro-1-methoxybenzene
SMILESCOc1ccc(Cl)cc1C(Br)C1CCCC1
InChIInChI=1S/C13H16BrClO/c1-16-12-7-6-10(15)8-11(12)13(14)9-4-2-3-5-9/h6-9,13H,2-5H2,1H3
InChIKeyJEPCRFAOUZYTQY-UHFFFAOYSA-N
XLogP4.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.63
LogP ≤ 54.97
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

3-[bromo-(5-chloro-2-methoxyphenyl)methyl]bicyclo[3.1.0]hexane
CID 104546565
(5-chloro-2-methoxyphenyl)-cycloheptylmethanamine
CID 65399712
2-[bromo-(2-methylcyclopentyl)methyl]-4-chloro-1-methoxybenzene
CID 107182621
2-(1-bromo-2-cyclopropylpropyl)-4-chloro-1-methoxybenzene
CID 104546471
(5-chloro-2-methoxyphenyl)-cyclooctylmethanol
CID 80603904
2-(5-chloro-2-methoxyphenyl)-2-cyclopentylacetonitrile
CID 79019427
(1S,2R)-2-amino-2-(5-chloro-2-methoxyphenyl)-1-cyclohexylethanol;hydrochloride
CID 171265627
2-[bromo-(5-chloro-2-methoxyphenyl)methyl]bicyclo[2.2.1]heptane
CID 104546461
[bromo-(2,4-dichlorophenyl)methyl]cyclooctane
CID 65021234
[1-(5-chloro-2-methoxyphenyl)-2-cyclohexyl-2-methoxyethyl]hydrazine
CID 105278765
1-[(S)-(5-chloro-2-methoxyphenyl)-cyclopentylmethyl]piperazine;dihydrochloride
CID 171283371
2-[chloro-(5-chloro-2-methoxyphenyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 104546339

Frequently Asked Questions

What is the IUPAC name of 2-[bromo(cyclopentyl)methyl]-4-chloro-1-methoxybenzene?
The IUPAC name of 2-[bromo(cyclopentyl)methyl]-4-chloro-1-methoxybenzene (CID 104546446) is 2-[bromo(cyclopentyl)methyl]-4-chloro-1-methoxybenzene.
What is the SMILES notation for 2-[bromo(cyclopentyl)methyl]-4-chloro-1-methoxybenzene?
The canonical SMILES for 2-[bromo(cyclopentyl)methyl]-4-chloro-1-methoxybenzene is COc1ccc(Cl)cc1C(Br)C1CCCC1.
What is the InChIKey of 2-[bromo(cyclopentyl)methyl]-4-chloro-1-methoxybenzene?
The InChIKey is JEPCRFAOUZYTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClO/c1-16-12-7-6-10(15)8-11(12)13(14)9-4-2-3-5-9/h6-9,13H,2-5H2,1H3.
What are the key properties of 2-[bromo(cyclopentyl)methyl]-4-chloro-1-methoxybenzene?
2-[bromo(cyclopentyl)methyl]-4-chloro-1-methoxybenzene has a molecular weight of 303.63 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo(cyclopentyl)methyl]-4-chloro-1-methoxybenzene is sourced from PubChem (CID 104546446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).