2-bromo-1-chloro-3-(cyclohexylmethoxy)benzene

C13H16BrClO — CID 156587194

IUPAC2-bromo-1-chloro-3-(cyclohexylmethoxy)benzene
SMILESClc1cccc(OCC2CCCCC2)c1Br
InChIInChI=1S/C13H16BrClO/c14-13-11(15)7-4-8-12(13)16-9-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2
InChIKeyGFPVOAAAZDSNER-UHFFFAOYSA-N
MW303.63 g/mol
LogP5.06
Rot. Bonds3

About 2-bromo-1-chloro-3-(cyclohexylmethoxy)benzene

2-bromo-1-chloro-3-(cyclohexylmethoxy)benzene (PubChem CID 156587194) has the molecular formula C13H16BrClO and a molecular weight of 303.63 g/mol. Its IUPAC name is 2-bromo-1-chloro-3-(cyclohexylmethoxy)benzene.

Molecular Properties

Compound Name2-bromo-1-chloro-3-(cyclohexylmethoxy)benzene
PubChem CID156587194
Molecular FormulaC13H16BrClO
Molecular Weight303.63 g/mol
Exact Mass302.01
IUPAC Name2-bromo-1-chloro-3-(cyclohexylmethoxy)benzene
SMILESClc1cccc(OCC2CCCCC2)c1Br
InChIInChI=1S/C13H16BrClO/c14-13-11(15)7-4-8-12(13)16-9-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2
InChIKeyGFPVOAAAZDSNER-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 ≤ 500303.63
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-3-(cyclohexylmethoxy)pyridine
CID 65101918
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1-[2-chloro-6-(cyclohexylmethoxy)phenyl]butan-2-amine
CID 114322036
1-[2-chloro-6-(cyclopentylmethoxy)phenyl]propan-2-amine
CID 113277136
1-(bromomethyl)-3-chloro-2-(cyclopentylmethoxy)benzene
CID 112613746
2-bromo-6-(cyclohexylmethoxy)benzenecarbothioamide
CID 114882939
3-chloro-4-(cyclohexylmethoxy)benzonitrile
CID 60667232
4-bromo-2-(chloromethyl)-1-(cyclohexylmethoxy)benzene
CID 28981481
1-(bromomethyl)-2-(cyclopentylmethoxy)benzene
CID 61343019
3-(cyclohexylmethoxy)-2-fluorobenzaldehyde
CID 58423208
2-bromo-1-chloro-3-(methoxymethoxy)benzene
CID 164894389

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-chloro-3-(cyclohexylmethoxy)benzene?
The IUPAC name of 2-bromo-1-chloro-3-(cyclohexylmethoxy)benzene (CID 156587194) is 2-bromo-1-chloro-3-(cyclohexylmethoxy)benzene.
What is the SMILES notation for 2-bromo-1-chloro-3-(cyclohexylmethoxy)benzene?
The canonical SMILES for 2-bromo-1-chloro-3-(cyclohexylmethoxy)benzene is Clc1cccc(OCC2CCCCC2)c1Br.
What is the InChIKey of 2-bromo-1-chloro-3-(cyclohexylmethoxy)benzene?
The InChIKey is GFPVOAAAZDSNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClO/c14-13-11(15)7-4-8-12(13)16-9-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2.
What are the key properties of 2-bromo-1-chloro-3-(cyclohexylmethoxy)benzene?
2-bromo-1-chloro-3-(cyclohexylmethoxy)benzene has a molecular weight of 303.63 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-1-chloro-3-(cyclohexylmethoxy)benzene is sourced from PubChem (CID 156587194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).