1-bromo-3-chloro-5-(cyclohexylmethoxy)benzene

C13H16BrClO — CID 138985972

IUPAC1-bromo-3-chloro-5-(cyclohexylmethoxy)benzene
SMILESClc1cc(Br)cc(OCC2CCCCC2)c1
InChIInChI=1S/C13H16BrClO/c14-11-6-12(15)8-13(7-11)16-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2
InChIKeyKXHRIAGOEYRCEK-UHFFFAOYSA-N
MW303.63 g/mol
LogP5.06
Rot. Bonds3

About 1-bromo-3-chloro-5-(cyclohexylmethoxy)benzene

1-bromo-3-chloro-5-(cyclohexylmethoxy)benzene (PubChem CID 138985972) has the molecular formula C13H16BrClO and a molecular weight of 303.63 g/mol. Its IUPAC name is 1-bromo-3-chloro-5-(cyclohexylmethoxy)benzene.

Molecular Properties

Compound Name1-bromo-3-chloro-5-(cyclohexylmethoxy)benzene
PubChem CID138985972
Molecular FormulaC13H16BrClO
Molecular Weight303.63 g/mol
Exact Mass302.01
IUPAC Name1-bromo-3-chloro-5-(cyclohexylmethoxy)benzene
SMILESClc1cc(Br)cc(OCC2CCCCC2)c1
InChIInChI=1S/C13H16BrClO/c14-11-6-12(15)8-13(7-11)16-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2
InChIKeyKXHRIAGOEYRCEK-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

(3S)-3-[(3-bromo-5-chlorophenoxy)methyl]pyrrolidine;hydrochloride
CID 166175564
[3-chloro-5-(cyclopentylmethoxy)phenyl]methanol
CID 138485153
[3-bromo-5-(cyclopentylmethoxy)phenyl]methanol
CID 162342873
1-[3-bromo-5-(cyclobutylmethoxy)phenyl]cyclopropan-1-ol
CID 117478635
[1-[3-chloro-5-(cyclobutylmethoxy)phenyl]cyclohexyl]methanamine
CID 117492823
1,3-dichloro-5-[(3-fluorocyclopentyl)methoxy]benzene
CID 138485152
3-(cyclohexylmethoxy)-5-ethoxyaniline
CID 80748419
(E)-3-[3-chloro-5-(cyclobutylmethoxy)phenyl]prop-2-en-1-amine
CID 117382831
1-[3-chloro-5-(cyclobutylmethoxy)phenyl]-2-methylpropan-2-amine
CID 117423442
4-[[3-chloro-5-(cyclobutylmethoxy)phenyl]methyl]piperidine
CID 117474195
3-[3-chloro-5-(cyclobutylmethoxy)phenyl]pyrrolidine
CID 117418768
4-[3-bromo-5-(cyclobutylmethoxy)phenyl]butan-1-amine
CID 117497336

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-chloro-5-(cyclohexylmethoxy)benzene?
The IUPAC name of 1-bromo-3-chloro-5-(cyclohexylmethoxy)benzene (CID 138985972) is 1-bromo-3-chloro-5-(cyclohexylmethoxy)benzene.
What is the SMILES notation for 1-bromo-3-chloro-5-(cyclohexylmethoxy)benzene?
The canonical SMILES for 1-bromo-3-chloro-5-(cyclohexylmethoxy)benzene is Clc1cc(Br)cc(OCC2CCCCC2)c1.
What is the InChIKey of 1-bromo-3-chloro-5-(cyclohexylmethoxy)benzene?
The InChIKey is KXHRIAGOEYRCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClO/c14-11-6-12(15)8-13(7-11)16-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2.
What are the key properties of 1-bromo-3-chloro-5-(cyclohexylmethoxy)benzene?
1-bromo-3-chloro-5-(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 1-bromo-3-chloro-5-(cyclohexylmethoxy)benzene is sourced from PubChem (CID 138985972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).