2-bromo-4-(bromomethyl)-1-cyclohexyloxybenzene

C13H16Br2O — CID 63535060

IUPAC2-bromo-4-(bromomethyl)-1-cyclohexyloxybenzene
SMILESBrCc1ccc(OC2CCCCC2)c(Br)c1
InChIInChI=1S/C13H16Br2O/c14-9-10-6-7-13(12(15)8-10)16-11-4-2-1-3-5-11/h6-8,11H,1-5,9H2
InChIKeyPIPBKOGDXTYYAP-UHFFFAOYSA-N
MW348.08 g/mol
LogP5.06
Rot. Bonds3

About 2-bromo-4-(bromomethyl)-1-cyclohexyloxybenzene

2-bromo-4-(bromomethyl)-1-cyclohexyloxybenzene (PubChem CID 63535060) has the molecular formula C13H16Br2O and a molecular weight of 348.08 g/mol. Its IUPAC name is 2-bromo-4-(bromomethyl)-1-cyclohexyloxybenzene.

Molecular Properties

Compound Name2-bromo-4-(bromomethyl)-1-cyclohexyloxybenzene
PubChem CID63535060
Molecular FormulaC13H16Br2O
Molecular Weight348.08 g/mol
Exact Mass345.96
IUPAC Name2-bromo-4-(bromomethyl)-1-cyclohexyloxybenzene
SMILESBrCc1ccc(OC2CCCCC2)c(Br)c1
InChIInChI=1S/C13H16Br2O/c14-9-10-6-7-13(12(15)8-10)16-11-4-2-1-3-5-11/h6-8,11H,1-5,9H2
InChIKeyPIPBKOGDXTYYAP-UHFFFAOYSA-N
XLogP5.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.08
LogP ≤ 55.06
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-bromo-4-cyclopentyloxyphenyl)methanol
CID 63051302
N-[(3-bromo-4-cyclopentyloxyphenyl)methyl]ethanamine
CID 63045514
N-[(3-bromo-4-cyclohexyloxyphenyl)methyl]propan-1-amine
CID 63501039
N-[(3-bromo-4-cyclopentyloxyphenyl)methyl]propan-1-amine
CID 63045521
3-bromo-4-cyclopentyloxyphenol
CID 68761541
2-[(3-bromo-4-cyclobutyloxyphenyl)methyl]pyrrolidine
CID 117495047
[5-(bromomethyl)-2-nitrophenoxy]cycloheptane
CID 82928233
9-[2-bromo-4-(bromomethyl)phenoxy]-6-oxaspiro[4.5]decane
CID 79894468
2-bromo-1-cyclobutyloxy-4-methylbenzene
CID 84702402
[3-bromo-4-(4-methylcyclohexyl)oxyphenyl]methanol
CID 64747530
(1R)-1-(3-bromo-4-cyclopentyloxyphenyl)ethanamine
CID 78937703
(2R)-2-[(3-bromo-4-cyclopentyloxyphenyl)methyl]morpholine
CID 11573663

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(bromomethyl)-1-cyclohexyloxybenzene?
The IUPAC name of 2-bromo-4-(bromomethyl)-1-cyclohexyloxybenzene (CID 63535060) is 2-bromo-4-(bromomethyl)-1-cyclohexyloxybenzene.
What is the SMILES notation for 2-bromo-4-(bromomethyl)-1-cyclohexyloxybenzene?
The canonical SMILES for 2-bromo-4-(bromomethyl)-1-cyclohexyloxybenzene is BrCc1ccc(OC2CCCCC2)c(Br)c1.
What is the InChIKey of 2-bromo-4-(bromomethyl)-1-cyclohexyloxybenzene?
The InChIKey is PIPBKOGDXTYYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Br2O/c14-9-10-6-7-13(12(15)8-10)16-11-4-2-1-3-5-11/h6-8,11H,1-5,9H2.
What are the key properties of 2-bromo-4-(bromomethyl)-1-cyclohexyloxybenzene?
2-bromo-4-(bromomethyl)-1-cyclohexyloxybenzene has a molecular weight of 348.08 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(bromomethyl)-1-cyclohexyloxybenzene is sourced from PubChem (CID 63535060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).