1-bromo-2-chloro-3-cyclohexyloxybenzene

C12H14BrClO — CID 86681310

IUPAC1-bromo-2-chloro-3-cyclohexyloxybenzene
SMILESClc1c(Br)cccc1OC1CCCCC1
InChIInChI=1S/C12H14BrClO/c13-10-7-4-8-11(12(10)14)15-9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2
InChIKeyMAXDMMQSOYUMRE-UHFFFAOYSA-N
MW289.60 g/mol
LogP4.81
Rot. Bonds2

About 1-bromo-2-chloro-3-cyclohexyloxybenzene

1-bromo-2-chloro-3-cyclohexyloxybenzene (PubChem CID 86681310) has the molecular formula C12H14BrClO and a molecular weight of 289.60 g/mol. Its IUPAC name is 1-bromo-2-chloro-3-cyclohexyloxybenzene.

Molecular Properties

Compound Name1-bromo-2-chloro-3-cyclohexyloxybenzene
PubChem CID86681310
Molecular FormulaC12H14BrClO
Molecular Weight289.60 g/mol
Exact Mass287.99
IUPAC Name1-bromo-2-chloro-3-cyclohexyloxybenzene
SMILESClc1c(Br)cccc1OC1CCCCC1
InChIInChI=1S/C12H14BrClO/c13-10-7-4-8-11(12(10)14)15-9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2
InChIKeyMAXDMMQSOYUMRE-UHFFFAOYSA-N
XLogP4.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.60
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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4-Bromo-1-chloro-2-ethoxybenzene
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4-Bromo-1-chloro-2-cyclopropoxybenzene
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4-Bromo-1-chloro-2-(2,2-difluoroethoxy)benzene
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4-Bromo-1-(but-3-yn-1-yloxy)-2-chlorobenzene
CID 63656440
1-Bromo-2-chloro-3-(cyclopropylmethoxy)benzene
CID 84710575
1-Bromo-3-(3-chloropropoxy)benzene
CID 16784255
1-Bromo-2-chloro-3-methoxybenzene
CID 23287864
1-Bromo-3-(cyclohexyloxy)benzene
CID 30052840
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CID 43135590

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-chloro-3-cyclohexyloxybenzene?
The IUPAC name of 1-bromo-2-chloro-3-cyclohexyloxybenzene (CID 86681310) is 1-bromo-2-chloro-3-cyclohexyloxybenzene.
What is the SMILES notation for 1-bromo-2-chloro-3-cyclohexyloxybenzene?
The canonical SMILES for 1-bromo-2-chloro-3-cyclohexyloxybenzene is Clc1c(Br)cccc1OC1CCCCC1.
What is the InChIKey of 1-bromo-2-chloro-3-cyclohexyloxybenzene?
The InChIKey is MAXDMMQSOYUMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClO/c13-10-7-4-8-11(12(10)14)15-9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2.
What are the key properties of 1-bromo-2-chloro-3-cyclohexyloxybenzene?
1-bromo-2-chloro-3-cyclohexyloxybenzene has a molecular weight of 289.60 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-chloro-3-cyclohexyloxybenzene is sourced from PubChem (CID 86681310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).