4-bromo-1-chloro-2,3-dimethoxy-5-methylbenzene

C9H10BrClO2 — CID 84711447

IUPAC4-bromo-1-chloro-2,3-dimethoxy-5-methylbenzene
SMILESCOc1c(Cl)cc(C)c(Br)c1OC
InChIInChI=1S/C9H10BrClO2/c1-5-4-6(11)8(12-2)9(13-3)7(5)10/h4H,1-3H3
InChIKeySOUJFVCITUAQET-UHFFFAOYSA-N
MW265.53 g/mol
LogP3.43
Rot. Bonds2

About 4-bromo-1-chloro-2,3-dimethoxy-5-methylbenzene

4-bromo-1-chloro-2,3-dimethoxy-5-methylbenzene (PubChem CID 84711447) has the molecular formula C9H10BrClO2 and a molecular weight of 265.53 g/mol. Its IUPAC name is 4-bromo-1-chloro-2,3-dimethoxy-5-methylbenzene.

Molecular Properties

Compound Name4-bromo-1-chloro-2,3-dimethoxy-5-methylbenzene
PubChem CID84711447
Molecular FormulaC9H10BrClO2
Molecular Weight265.53 g/mol
Exact Mass263.96
IUPAC Name4-bromo-1-chloro-2,3-dimethoxy-5-methylbenzene
SMILESCOc1c(Cl)cc(C)c(Br)c1OC
InChIInChI=1S/C9H10BrClO2/c1-5-4-6(11)8(12-2)9(13-3)7(5)10/h4H,1-3H3
InChIKeySOUJFVCITUAQET-UHFFFAOYSA-N
XLogP3.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.53
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-5-chloro-6-methoxy-3-methylphenol
CID 84707480
1-bromo-5-chloro-3,4-dimethoxy-2-methylbenzene
CID 84711440
1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclopropan-1-amine
CID 84801185
3-bromo-2-methoxy-4,6-dimethylphenol
CID 84694160
4-chloro-2,3-dimethoxy-6-methylbenzonitrile
CID 117302239
3-bromo-1-chloro-5-fluoro-2-methoxy-4-methylbenzene
CID 84707952
1,5-dichloro-2,4-dimethoxy-3-methylbenzene
CID 58961638
2-bromo-1,5,8-trimethoxy-3-methylnaphthalene
CID 15362269
methyl 3-bromo-2,6-dimethoxy-4-methylbenzoate
CID 121224482
3-(4-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-amine
CID 117361457
[1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclopentyl]methanamine
CID 117456529
2-(4-chloro-2,3-dimethoxy-6-methylphenyl)-2-methylpropan-1-ol
CID 117400699

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-chloro-2,3-dimethoxy-5-methylbenzene?
The IUPAC name of 4-bromo-1-chloro-2,3-dimethoxy-5-methylbenzene (CID 84711447) is 4-bromo-1-chloro-2,3-dimethoxy-5-methylbenzene.
What is the SMILES notation for 4-bromo-1-chloro-2,3-dimethoxy-5-methylbenzene?
The canonical SMILES for 4-bromo-1-chloro-2,3-dimethoxy-5-methylbenzene is COc1c(Cl)cc(C)c(Br)c1OC.
What is the InChIKey of 4-bromo-1-chloro-2,3-dimethoxy-5-methylbenzene?
The InChIKey is SOUJFVCITUAQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClO2/c1-5-4-6(11)8(12-2)9(13-3)7(5)10/h4H,1-3H3.
What are the key properties of 4-bromo-1-chloro-2,3-dimethoxy-5-methylbenzene?
4-bromo-1-chloro-2,3-dimethoxy-5-methylbenzene has a molecular weight of 265.53 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-chloro-2,3-dimethoxy-5-methylbenzene is sourced from PubChem (CID 84711447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).