2-[(3-bromo-2-methylcyclopentyl)methyl]-4-chloro-1-methoxybenzene

C14H18BrClO — CID 64908394

IUPAC2-[(3-bromo-2-methylcyclopentyl)methyl]-4-chloro-1-methoxybenzene
SMILESCOc1ccc(Cl)cc1CC1CCC(Br)C1C
InChIInChI=1S/C14H18BrClO/c1-9-10(3-5-13(9)15)7-11-8-12(16)4-6-14(11)17-2/h4,6,8-10,13H,3,5,7H2,1-2H3
InChIKeyMHIFGJICVVUOBC-UHFFFAOYSA-N
MW317.65 g/mol
LogP4.70
Rot. Bonds3

About 2-[(3-bromo-2-methylcyclopentyl)methyl]-4-chloro-1-methoxybenzene

2-[(3-bromo-2-methylcyclopentyl)methyl]-4-chloro-1-methoxybenzene (PubChem CID 64908394) has the molecular formula C14H18BrClO and a molecular weight of 317.65 g/mol. Its IUPAC name is 2-[(3-bromo-2-methylcyclopentyl)methyl]-4-chloro-1-methoxybenzene.

Molecular Properties

Compound Name2-[(3-bromo-2-methylcyclopentyl)methyl]-4-chloro-1-methoxybenzene
PubChem CID64908394
Molecular FormulaC14H18BrClO
Molecular Weight317.65 g/mol
Exact Mass316.02
IUPAC Name2-[(3-bromo-2-methylcyclopentyl)methyl]-4-chloro-1-methoxybenzene
SMILESCOc1ccc(Cl)cc1CC1CCC(Br)C1C
InChIInChI=1S/C14H18BrClO/c1-9-10(3-5-13(9)15)7-11-8-12(16)4-6-14(11)17-2/h4,6,8-10,13H,3,5,7H2,1-2H3
InChIKeyMHIFGJICVVUOBC-UHFFFAOYSA-N
XLogP4.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.65
LogP ≤ 54.70
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-[(5-chloro-2-methoxyphenyl)methyl]-N,2-dimethylcyclopentan-1-amine
CID 64908984
3-bromo-4-[(5-chloro-2-methoxyphenyl)methyl]thiolane
CID 83190412
N-[[2-[(5-chloro-2-methoxyphenyl)methyl]cyclobutyl]methyl]propan-1-amine
CID 81017307
4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
CID 626547
2-[2-(2-bromo-4-methylcyclohexyl)-2-methylpropyl]-4-chloro-1-methoxybenzene
CID 64767519
1-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63459141
4-bromo-2-[(2-bromocyclohexyl)methyl]-1-methoxybenzene
CID 63472769
3-bromo-8-[(5-chloro-2-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octane
CID 80669272
2-[(5-bromo-2-methoxyphenyl)methyl]cyclobutan-1-amine
CID 81014703
4-chloro-2-(fluoromethyl)-1-methoxybenzene
CID 142810663
1-[(5-chloro-2-methoxyphenyl)methyl]-3-methoxycyclobutan-1-ol
CID 106823676
2-(3-bromo-3-cyclopropylpropyl)-4-chloro-1-methoxybenzene
CID 63471316

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-2-methylcyclopentyl)methyl]-4-chloro-1-methoxybenzene?
The IUPAC name of 2-[(3-bromo-2-methylcyclopentyl)methyl]-4-chloro-1-methoxybenzene (CID 64908394) is 2-[(3-bromo-2-methylcyclopentyl)methyl]-4-chloro-1-methoxybenzene.
What is the SMILES notation for 2-[(3-bromo-2-methylcyclopentyl)methyl]-4-chloro-1-methoxybenzene?
The canonical SMILES for 2-[(3-bromo-2-methylcyclopentyl)methyl]-4-chloro-1-methoxybenzene is COc1ccc(Cl)cc1CC1CCC(Br)C1C.
What is the InChIKey of 2-[(3-bromo-2-methylcyclopentyl)methyl]-4-chloro-1-methoxybenzene?
The InChIKey is MHIFGJICVVUOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClO/c1-9-10(3-5-13(9)15)7-11-8-12(16)4-6-14(11)17-2/h4,6,8-10,13H,3,5,7H2,1-2H3.
What are the key properties of 2-[(3-bromo-2-methylcyclopentyl)methyl]-4-chloro-1-methoxybenzene?
2-[(3-bromo-2-methylcyclopentyl)methyl]-4-chloro-1-methoxybenzene has a molecular weight of 317.65 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-2-methylcyclopentyl)methyl]-4-chloro-1-methoxybenzene is sourced from PubChem (CID 64908394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).