4-bromo-2-[(2-bromocyclohexyl)methyl]-1-methoxybenzene

C14H18Br2O — CID 63472769

IUPAC4-bromo-2-[(2-bromocyclohexyl)methyl]-1-methoxybenzene
SMILESCOc1ccc(Br)cc1CC1CCCCC1Br
InChIInChI=1S/C14H18Br2O/c1-17-14-7-6-12(15)9-11(14)8-10-4-2-3-5-13(10)16/h6-7,9-10,13H,2-5,8H2,1H3
InChIKeyCUACXCFYGIJDPF-UHFFFAOYSA-N
MW362.11 g/mol
LogP4.95
Rot. Bonds3

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

4-bromo-2-[(2-bromocyclohexyl)methyl]-1-methoxybenzene (PubChem CID 63472769) has the molecular formula C14H18Br2O and a molecular weight of 362.11 g/mol. Its IUPAC name is 4-bromo-2-[(2-bromocyclohexyl)methyl]-1-methoxybenzene.

Molecular Properties

Compound Name4-bromo-2-[(2-bromocyclohexyl)methyl]-1-methoxybenzene
PubChem CID63472769
Molecular FormulaC14H18Br2O
Molecular Weight362.11 g/mol
Exact Mass359.97
IUPAC Name4-bromo-2-[(2-bromocyclohexyl)methyl]-1-methoxybenzene
SMILESCOc1ccc(Br)cc1CC1CCCCC1Br
InChIInChI=1S/C14H18Br2O/c1-17-14-7-6-12(15)9-11(14)8-10-4-2-3-5-13(10)16/h6-7,9-10,13H,2-5,8H2,1H3
InChIKeyCUACXCFYGIJDPF-UHFFFAOYSA-N
XLogP4.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.11
LogP ≤ 54.95
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-[(5-bromo-2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine
CID 54971608
2-[(5-bromo-2-methoxyphenyl)methyl]cyclobutan-1-amine
CID 81014703
3-bromo-4-[(5-bromo-2-methoxyphenyl)methyl]thiolane
CID 83189971
1-[(2-bromocyclohexyl)methyl]-2-fluoro-3-methoxybenzene
CID 104794444
1-[(5-bromo-2-methoxyphenyl)methyl]-3-chlorocycloheptane
CID 64509087
N-[[2-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methyl]ethanamine
CID 81017189
N-[[2-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methyl]propan-1-amine
CID 81018146
N-[(5-bromo-2-methoxyphenyl)methyl]cycloheptanamine
CID 792004
4-[(5-bromo-2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine
CID 116926328
[2-[(5-bromo-2-methoxyphenyl)methyl]-4-propylcyclohexyl]methanamine
CID 81012982
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine
CID 114179240
N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylcyclohexan-1-amine
CID 55192223

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(2-bromocyclohexyl)methyl]-1-methoxybenzene?
The IUPAC name of 4-bromo-2-[(2-bromocyclohexyl)methyl]-1-methoxybenzene (CID 63472769) is 4-bromo-2-[(2-bromocyclohexyl)methyl]-1-methoxybenzene.
What is the SMILES notation for 4-bromo-2-[(2-bromocyclohexyl)methyl]-1-methoxybenzene?
The canonical SMILES for 4-bromo-2-[(2-bromocyclohexyl)methyl]-1-methoxybenzene is COc1ccc(Br)cc1CC1CCCCC1Br.
What is the InChIKey of 4-bromo-2-[(2-bromocyclohexyl)methyl]-1-methoxybenzene?
The InChIKey is CUACXCFYGIJDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2O/c1-17-14-7-6-12(15)9-11(14)8-10-4-2-3-5-13(10)16/h6-7,9-10,13H,2-5,8H2,1H3.
What are the key properties of 4-bromo-2-[(2-bromocyclohexyl)methyl]-1-methoxybenzene?
4-bromo-2-[(2-bromocyclohexyl)methyl]-1-methoxybenzene has a molecular weight of 362.11 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(2-bromocyclohexyl)methyl]-1-methoxybenzene is sourced from PubChem (CID 63472769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).