1-bromo-3-chloro-2-methoxy-5-phenoxybenzene

C13H10BrClO2 — CID 171366803

IUPAC1-bromo-3-chloro-2-methoxy-5-phenoxybenzene
SMILESCOc1c(Cl)cc(Oc2ccccc2)cc1Br
InChIInChI=1S/C13H10BrClO2/c1-16-13-11(14)7-10(8-12(13)15)17-9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyNNJHLBIEXWLUAK-UHFFFAOYSA-N
MW313.58 g/mol
LogP4.90
Rot. Bonds3

About 1-bromo-3-chloro-2-methoxy-5-phenoxybenzene

1-bromo-3-chloro-2-methoxy-5-phenoxybenzene (PubChem CID 171366803) has the molecular formula C13H10BrClO2 and a molecular weight of 313.58 g/mol. Its IUPAC name is 1-bromo-3-chloro-2-methoxy-5-phenoxybenzene.

Molecular Properties

Compound Name1-bromo-3-chloro-2-methoxy-5-phenoxybenzene
PubChem CID171366803
Molecular FormulaC13H10BrClO2
Molecular Weight313.58 g/mol
Exact Mass311.96
IUPAC Name1-bromo-3-chloro-2-methoxy-5-phenoxybenzene
SMILESCOc1c(Cl)cc(Oc2ccccc2)cc1Br
InChIInChI=1S/C13H10BrClO2/c1-16-13-11(14)7-10(8-12(13)15)17-9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyNNJHLBIEXWLUAK-UHFFFAOYSA-N
XLogP4.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.58
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 164893883
1,2,3,4,5-pentamethoxy-6-phenoxybenzene
CID 91516072
2,6-dichloro-3-methoxy-4-phenoxyaniline
CID 88611773
methyl 4-chloro-6-phenoxy-1H-indole-2-carboxylate
CID 135358602
1,3,5-tris[4-(4-phenoxyphenoxy)phenoxy]benzene
CID 167430627
7-bromo-5-chloro-8-methoxyquinoline
CID 58763008
2-bromo-1-fluoro-4-phenoxybenzene
CID 71774083
chlorobenzene;phenoxybenzene
CID 66911253
3-chloro-4,5-dimethoxy-N-(4-phenoxyphenyl)benzamide
CID 4033841
(4-bromo-6-phenoxy-1H-indol-2-yl)methanol
CID 135358038
1-bromo-5-chloro-3,4-dimethoxy-2-methylbenzene
CID 84711440
iron;phenoxybenzene
CID 174434720

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-chloro-2-methoxy-5-phenoxybenzene?
The IUPAC name of 1-bromo-3-chloro-2-methoxy-5-phenoxybenzene (CID 171366803) is 1-bromo-3-chloro-2-methoxy-5-phenoxybenzene.
What is the SMILES notation for 1-bromo-3-chloro-2-methoxy-5-phenoxybenzene?
The canonical SMILES for 1-bromo-3-chloro-2-methoxy-5-phenoxybenzene is COc1c(Cl)cc(Oc2ccccc2)cc1Br.
What is the InChIKey of 1-bromo-3-chloro-2-methoxy-5-phenoxybenzene?
The InChIKey is NNJHLBIEXWLUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClO2/c1-16-13-11(14)7-10(8-12(13)15)17-9-5-3-2-4-6-9/h2-8H,1H3.
What are the key properties of 1-bromo-3-chloro-2-methoxy-5-phenoxybenzene?
1-bromo-3-chloro-2-methoxy-5-phenoxybenzene has a molecular weight of 313.58 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-chloro-2-methoxy-5-phenoxybenzene is sourced from PubChem (CID 171366803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).