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

C18H21BrO — CID 63444266

IUPAC2-[bromo(cyclohexyl)methyl]-6-methoxynaphthalene
SMILESCOc1ccc2cc(C(Br)C3CCCCC3)ccc2c1
InChIInChI=1S/C18H21BrO/c1-20-17-10-9-14-11-16(8-7-15(14)12-17)18(19)13-5-3-2-4-6-13/h7-13,18H,2-6H2,1H3
InChIKeyLUHUSXNHELAHFI-UHFFFAOYSA-N
MW333.27 g/mol
LogP5.86
Rot. Bonds3

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

2-[bromo(cyclohexyl)methyl]-6-methoxynaphthalene (PubChem CID 63444266) has the molecular formula C18H21BrO and a molecular weight of 333.27 g/mol. Its IUPAC name is 2-[bromo(cyclohexyl)methyl]-6-methoxynaphthalene.

Molecular Properties

Compound Name2-[bromo(cyclohexyl)methyl]-6-methoxynaphthalene
PubChem CID63444266
Molecular FormulaC18H21BrO
Molecular Weight333.27 g/mol
Exact Mass332.08
IUPAC Name2-[bromo(cyclohexyl)methyl]-6-methoxynaphthalene
SMILESCOc1ccc2cc(C(Br)C3CCCCC3)ccc2c1
InChIInChI=1S/C18H21BrO/c1-20-17-10-9-14-11-16(8-7-15(14)12-17)18(19)13-5-3-2-4-6-13/h7-13,18H,2-6H2,1H3
InChIKeyLUHUSXNHELAHFI-UHFFFAOYSA-N
XLogP5.86
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 ≤ 55.86
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-(2-methylcyclopentyl)methyl]-6-methoxynaphthalene
CID 107182341
[bromo-(2-bromo-4-methoxyphenyl)methyl]cyclooctane
CID 65021185
[bromo-(4-methoxy-3-methylphenyl)methyl]cyclooctane
CID 65020989
[bromo-(3-bromo-4-methoxyphenyl)methyl]cycloheptane
CID 63435662
2-cyclohexyl-1-(6-methoxynaphthalen-2-yl)ethanamine
CID 63504313
1-[bromo(cyclohexyl)methyl]-2-fluoro-4-methoxybenzene
CID 63443330
2-[2-bicyclo[2.2.1]heptanyl(bromo)methyl]-6-methoxynaphthalene
CID 63443862
4-[bromo(cyclobutyl)methyl]-1,2-dimethoxybenzene
CID 61085730
2-bromo-1-[bromo(cyclobutyl)methyl]-4-methoxybenzene
CID 63443524
[bromo-(3,4-dichlorophenyl)methyl]cycloheptane
CID 63445197
N-cyclohexyl-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide
CID 74853038
[cyclohexyl-(4-methoxyphenyl)methyl]hydrazine
CID 105190838

Frequently Asked Questions

What is the IUPAC name of 2-[bromo(cyclohexyl)methyl]-6-methoxynaphthalene?
The IUPAC name of 2-[bromo(cyclohexyl)methyl]-6-methoxynaphthalene (CID 63444266) is 2-[bromo(cyclohexyl)methyl]-6-methoxynaphthalene.
What is the SMILES notation for 2-[bromo(cyclohexyl)methyl]-6-methoxynaphthalene?
The canonical SMILES for 2-[bromo(cyclohexyl)methyl]-6-methoxynaphthalene is COc1ccc2cc(C(Br)C3CCCCC3)ccc2c1.
What is the InChIKey of 2-[bromo(cyclohexyl)methyl]-6-methoxynaphthalene?
The InChIKey is LUHUSXNHELAHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrO/c1-20-17-10-9-14-11-16(8-7-15(14)12-17)18(19)13-5-3-2-4-6-13/h7-13,18H,2-6H2,1H3.
What are the key properties of 2-[bromo(cyclohexyl)methyl]-6-methoxynaphthalene?
2-[bromo(cyclohexyl)methyl]-6-methoxynaphthalene has a molecular weight of 333.27 g/mol, XLogP of 5.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo(cyclohexyl)methyl]-6-methoxynaphthalene is sourced from PubChem (CID 63444266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).