2-[bromo-(2-methylcyclopentyl)methyl]-6-methoxynaphthalene

C18H21BrO — CID 107182341

IUPAC2-[bromo-(2-methylcyclopentyl)methyl]-6-methoxynaphthalene
SMILESCOc1ccc2cc(C(Br)C3CCCC3C)ccc2c1
InChIInChI=1S/C18H21BrO/c1-12-4-3-5-17(12)18(19)15-7-6-14-11-16(20-2)9-8-13(14)10-15/h6-12,17-18H,3-5H2,1-2H3
InChIKeyRVICEAVWRVSQCE-UHFFFAOYSA-N
MW333.27 g/mol
LogP5.72
Rot. Bonds3

About 2-[bromo-(2-methylcyclopentyl)methyl]-6-methoxynaphthalene

2-[bromo-(2-methylcyclopentyl)methyl]-6-methoxynaphthalene (PubChem CID 107182341) has the molecular formula C18H21BrO and a molecular weight of 333.27 g/mol. Its IUPAC name is 2-[bromo-(2-methylcyclopentyl)methyl]-6-methoxynaphthalene.

Molecular Properties

Compound Name2-[bromo-(2-methylcyclopentyl)methyl]-6-methoxynaphthalene
PubChem CID107182341
Molecular FormulaC18H21BrO
Molecular Weight333.27 g/mol
Exact Mass332.08
IUPAC Name2-[bromo-(2-methylcyclopentyl)methyl]-6-methoxynaphthalene
SMILESCOc1ccc2cc(C(Br)C3CCCC3C)ccc2c1
InChIInChI=1S/C18H21BrO/c1-12-4-3-5-17(12)18(19)15-7-6-14-11-16(20-2)9-8-13(14)10-15/h6-12,17-18H,3-5H2,1-2H3
InChIKeyRVICEAVWRVSQCE-UHFFFAOYSA-N
XLogP5.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.27
LogP ≤ 55.72
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-[chloro-(2-methylcyclopentyl)methyl]-6-methoxynaphthalene
CID 107182339
2-[2-bicyclo[2.2.1]heptanyl(bromo)methyl]-6-methoxynaphthalene
CID 63443862
2-[bromo(cyclohexyl)methyl]-6-methoxynaphthalene
CID 63444266
(4-methoxyphenyl)-(2-methylcyclopentyl)methanol
CID 107181512
4-[bromo-(2-methylcyclopentyl)methyl]-1,2-difluorobenzene
CID 107182232
1-[bromo-(2-methylcyclopentyl)methyl]-4-propan-2-ylbenzene
CID 107182321
2-bromo-2-(6-methoxynaphthalen-2-yl)acetonitrile
CID 83085596
2-[bromo(phenyl)methyl]-6-methoxynaphthalene
CID 63444351
1-(1-bromo-2-cyclobutylethyl)-4-methoxybenzene
CID 103165731
1-[1-(6-methoxynaphthalen-2-yl)ethyl]piperidin-4-amine
CID 43130766
2-cyclohexyl-1-(6-methoxynaphthalen-2-yl)ethanamine
CID 63504313
2-[bromo-(2-methylcyclopentyl)methyl]-4-chloro-1-methoxybenzene
CID 107182621

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(2-methylcyclopentyl)methyl]-6-methoxynaphthalene?
The IUPAC name of 2-[bromo-(2-methylcyclopentyl)methyl]-6-methoxynaphthalene (CID 107182341) is 2-[bromo-(2-methylcyclopentyl)methyl]-6-methoxynaphthalene.
What is the SMILES notation for 2-[bromo-(2-methylcyclopentyl)methyl]-6-methoxynaphthalene?
The canonical SMILES for 2-[bromo-(2-methylcyclopentyl)methyl]-6-methoxynaphthalene is COc1ccc2cc(C(Br)C3CCCC3C)ccc2c1.
What is the InChIKey of 2-[bromo-(2-methylcyclopentyl)methyl]-6-methoxynaphthalene?
The InChIKey is RVICEAVWRVSQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrO/c1-12-4-3-5-17(12)18(19)15-7-6-14-11-16(20-2)9-8-13(14)10-15/h6-12,17-18H,3-5H2,1-2H3.
What are the key properties of 2-[bromo-(2-methylcyclopentyl)methyl]-6-methoxynaphthalene?
2-[bromo-(2-methylcyclopentyl)methyl]-6-methoxynaphthalene has a molecular weight of 333.27 g/mol, XLogP of 5.72, 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]-6-methoxynaphthalene is sourced from PubChem (CID 107182341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).