1-[(2-bromo-5-ethylcyclohexyl)methyl]-2-methoxybenzene

C16H23BrO — CID 63473365

IUPAC1-[(2-bromo-5-ethylcyclohexyl)methyl]-2-methoxybenzene
SMILESCCC1CCC(Br)C(Cc2ccccc2OC)C1
InChIInChI=1S/C16H23BrO/c1-3-12-8-9-15(17)14(10-12)11-13-6-4-5-7-16(13)18-2/h4-7,12,14-15H,3,8-11H2,1-2H3
InChIKeyZBCHTNCAFNJZHI-UHFFFAOYSA-N
MW311.26 g/mol
LogP4.83
Rot. Bonds4

About 1-[(2-bromo-5-ethylcyclohexyl)methyl]-2-methoxybenzene

1-[(2-bromo-5-ethylcyclohexyl)methyl]-2-methoxybenzene (PubChem CID 63473365) has the molecular formula C16H23BrO and a molecular weight of 311.26 g/mol. Its IUPAC name is 1-[(2-bromo-5-ethylcyclohexyl)methyl]-2-methoxybenzene.

Molecular Properties

Compound Name1-[(2-bromo-5-ethylcyclohexyl)methyl]-2-methoxybenzene
PubChem CID63473365
Molecular FormulaC16H23BrO
Molecular Weight311.26 g/mol
Exact Mass310.09
IUPAC Name1-[(2-bromo-5-ethylcyclohexyl)methyl]-2-methoxybenzene
SMILESCCC1CCC(Br)C(Cc2ccccc2OC)C1
InChIInChI=1S/C16H23BrO/c1-3-12-8-9-15(17)14(10-12)11-13-6-4-5-7-16(13)18-2/h4-7,12,14-15H,3,8-11H2,1-2H3
InChIKeyZBCHTNCAFNJZHI-UHFFFAOYSA-N
XLogP4.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 54.83
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

1-[4-ethyl-2-[(2-methoxyphenyl)methyl]cyclohexyl]-N-methylmethanamine
CID 81032383
1-methoxy-2-[(4-propylcyclohexyl)methyl]benzene
CID 141394597
3-ethyl-N-[(2-methoxyphenyl)methyl]cyclopentan-1-amine
CID 64500368
1-[(2-bromo-5-ethylcyclohexyl)methyl]-2-methyl-3-nitrobenzene
CID 63472419
4-ethyl-2-[(2-methoxy-5-methylphenyl)methyl]cyclohexan-1-amine
CID 55041701
4-ethyl-2-[(2-methoxy-5-methylphenyl)methyl]cyclohexan-1-ol
CID 62161726
N-[[2-[(2-methoxyphenyl)methyl]cyclobutyl]methyl]ethanamine
CID 81018226
1-[(2-bromocyclohexyl)methyl]-2-fluoro-3-methoxybenzene
CID 104794444
1-(cyclopent-3-en-1-ylmethyl)-2-methoxybenzene
CID 23391764
1-[(2-bromo-5-propylcyclohexyl)methyl]-2,3-difluorobenzene
CID 55192642
4-[(2-bromo-5-ethylcyclohexyl)methyl]-1,2-difluorobenzene
CID 82930424
N-[[2-[(2-methoxyphenyl)methyl]cyclohexyl]methyl]ethanamine
CID 81028833

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-5-ethylcyclohexyl)methyl]-2-methoxybenzene?
The IUPAC name of 1-[(2-bromo-5-ethylcyclohexyl)methyl]-2-methoxybenzene (CID 63473365) is 1-[(2-bromo-5-ethylcyclohexyl)methyl]-2-methoxybenzene.
What is the SMILES notation for 1-[(2-bromo-5-ethylcyclohexyl)methyl]-2-methoxybenzene?
The canonical SMILES for 1-[(2-bromo-5-ethylcyclohexyl)methyl]-2-methoxybenzene is CCC1CCC(Br)C(Cc2ccccc2OC)C1.
What is the InChIKey of 1-[(2-bromo-5-ethylcyclohexyl)methyl]-2-methoxybenzene?
The InChIKey is ZBCHTNCAFNJZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrO/c1-3-12-8-9-15(17)14(10-12)11-13-6-4-5-7-16(13)18-2/h4-7,12,14-15H,3,8-11H2,1-2H3.
What are the key properties of 1-[(2-bromo-5-ethylcyclohexyl)methyl]-2-methoxybenzene?
1-[(2-bromo-5-ethylcyclohexyl)methyl]-2-methoxybenzene has a molecular weight of 311.26 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-5-ethylcyclohexyl)methyl]-2-methoxybenzene is sourced from PubChem (CID 63473365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).