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

C14H18BrClO — CID 107182621

IUPAC2-[bromo-(2-methylcyclopentyl)methyl]-4-chloro-1-methoxybenzene
SMILESCOc1ccc(Cl)cc1C(Br)C1CCCC1C
InChIInChI=1S/C14H18BrClO/c1-9-4-3-5-11(9)14(15)12-8-10(16)6-7-13(12)17-2/h6-9,11,14H,3-5H2,1-2H3
InChIKeyFOPRFFMCGXOOFC-UHFFFAOYSA-N
MW317.65 g/mol
LogP5.22
Rot. Bonds3

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

2-[bromo-(2-methylcyclopentyl)methyl]-4-chloro-1-methoxybenzene (PubChem CID 107182621) has the molecular formula C14H18BrClO and a molecular weight of 317.65 g/mol. Its IUPAC name is 2-[bromo-(2-methylcyclopentyl)methyl]-4-chloro-1-methoxybenzene.

Molecular Properties

Compound Name2-[bromo-(2-methylcyclopentyl)methyl]-4-chloro-1-methoxybenzene
PubChem CID107182621
Molecular FormulaC14H18BrClO
Molecular Weight317.65 g/mol
Exact Mass316.02
IUPAC Name2-[bromo-(2-methylcyclopentyl)methyl]-4-chloro-1-methoxybenzene
SMILESCOc1ccc(Cl)cc1C(Br)C1CCCC1C
InChIInChI=1S/C14H18BrClO/c1-9-4-3-5-11(9)14(15)12-8-10(16)6-7-13(12)17-2/h6-9,11,14H,3-5H2,1-2H3
InChIKeyFOPRFFMCGXOOFC-UHFFFAOYSA-N
XLogP5.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.65
LogP ≤ 55.22
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(cyclopentyl)methyl]-4-chloro-1-methoxybenzene
CID 104546446
2-[bromo-(5-chloro-2-methoxyphenyl)methyl]bicyclo[2.2.1]heptane
CID 104546461
3-[bromo-(5-chloro-2-methoxyphenyl)methyl]bicyclo[3.1.0]hexane
CID 104546565
(5-chloro-2-methoxyphenyl)-(2-methylcyclopropyl)methanol
CID 65420387
2-(1-bromo-2-cyclopropylpropyl)-4-chloro-1-methoxybenzene
CID 104546471
3-[bromo-(5-chloro-2-methoxyphenyl)methyl]-2,4,5-trimethyloxolane
CID 104546511
(5-chloro-2-methoxyphenyl)-cycloheptylmethanamine
CID 65399712
(5-chloro-2-methoxyphenyl)-(2-methylcyclopentyl)methanone
CID 107176707
(5-chloro-2-methoxyphenyl)-cyclooctylmethanol
CID 80603904
2-(5-chloro-2-methoxyphenyl)-2-cyclopentylacetonitrile
CID 79019427
2-[chloro-(5-chloro-2-methoxyphenyl)methyl]-3-methyloxolane
CID 104546411
2-(1-bromobutyl)-4-chloro-1-methoxybenzene
CID 104546547

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(2-methylcyclopentyl)methyl]-4-chloro-1-methoxybenzene?
The IUPAC name of 2-[bromo-(2-methylcyclopentyl)methyl]-4-chloro-1-methoxybenzene (CID 107182621) is 2-[bromo-(2-methylcyclopentyl)methyl]-4-chloro-1-methoxybenzene.
What is the SMILES notation for 2-[bromo-(2-methylcyclopentyl)methyl]-4-chloro-1-methoxybenzene?
The canonical SMILES for 2-[bromo-(2-methylcyclopentyl)methyl]-4-chloro-1-methoxybenzene is COc1ccc(Cl)cc1C(Br)C1CCCC1C.
What is the InChIKey of 2-[bromo-(2-methylcyclopentyl)methyl]-4-chloro-1-methoxybenzene?
The InChIKey is FOPRFFMCGXOOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClO/c1-9-4-3-5-11(9)14(15)12-8-10(16)6-7-13(12)17-2/h6-9,11,14H,3-5H2,1-2H3.
What are the key properties of 2-[bromo-(2-methylcyclopentyl)methyl]-4-chloro-1-methoxybenzene?
2-[bromo-(2-methylcyclopentyl)methyl]-4-chloro-1-methoxybenzene has a molecular weight of 317.65 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(2-methylcyclopentyl)methyl]-4-chloro-1-methoxybenzene is sourced from PubChem (CID 107182621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).