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

C9H10BrClO2 — CID 84711440

IUPAC1-bromo-5-chloro-3,4-dimethoxy-2-methylbenzene
SMILESCOc1c(Cl)cc(Br)c(C)c1OC
InChIInChI=1S/C9H10BrClO2/c1-5-6(10)4-7(11)9(13-3)8(5)12-2/h4H,1-3H3
InChIKeyPVHHCAVBZHMMJH-UHFFFAOYSA-N
MW265.53 g/mol
LogP3.43
Rot. Bonds2

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

1-bromo-5-chloro-3,4-dimethoxy-2-methylbenzene (PubChem CID 84711440) has the molecular formula C9H10BrClO2 and a molecular weight of 265.53 g/mol. Its IUPAC name is 1-bromo-5-chloro-3,4-dimethoxy-2-methylbenzene.

Molecular Properties

Compound Name1-bromo-5-chloro-3,4-dimethoxy-2-methylbenzene
PubChem CID84711440
Molecular FormulaC9H10BrClO2
Molecular Weight265.53 g/mol
Exact Mass263.96
IUPAC Name1-bromo-5-chloro-3,4-dimethoxy-2-methylbenzene
SMILESCOc1c(Cl)cc(Br)c(C)c1OC
InChIInChI=1S/C9H10BrClO2/c1-5-6(10)4-7(11)9(13-3)8(5)12-2/h4H,1-3H3
InChIKeyPVHHCAVBZHMMJH-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

1-bromo-4-chloro-3-methoxy-2,5-dimethylbenzene
CID 84803778
5-bromo-2,3-dimethoxy-4-methylphenol
CID 84705997
4-bromo-1-chloro-2,3-dimethoxy-5-methylbenzene
CID 84711447
1,5-dichloro-2,4-dimethoxy-3-methylbenzene
CID 58961638
(5-chloro-3,4-dimethoxy-2-methylphenyl)methanol
CID 84682296
3-bromo-1-chloro-5-fluoro-2-methoxy-4-methylbenzene
CID 84707952
1-(5-chloro-3,4-dimethoxy-2-methylphenyl)ethanol
CID 84694066
3-bromo-5-chloro-2,6-dimethoxybenzoyl chloride
CID 13202164
2-bromo-5-chloro-6-methoxy-3-methylphenol
CID 84707480
7-bromo-5-chloro-4-methoxy-3,3-dimethyl-2H-1-benzofuran
CID 118991708
methyl 3-bromo-2,5-dichloro-6-methoxybenzoate
CID 118562173
6-bromo-4-chloro-3-fluoro-2-methoxyphenol
CID 84708614

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-chloro-3,4-dimethoxy-2-methylbenzene?
The IUPAC name of 1-bromo-5-chloro-3,4-dimethoxy-2-methylbenzene (CID 84711440) is 1-bromo-5-chloro-3,4-dimethoxy-2-methylbenzene.
What is the SMILES notation for 1-bromo-5-chloro-3,4-dimethoxy-2-methylbenzene?
The canonical SMILES for 1-bromo-5-chloro-3,4-dimethoxy-2-methylbenzene is COc1c(Cl)cc(Br)c(C)c1OC.
What is the InChIKey of 1-bromo-5-chloro-3,4-dimethoxy-2-methylbenzene?
The InChIKey is PVHHCAVBZHMMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClO2/c1-5-6(10)4-7(11)9(13-3)8(5)12-2/h4H,1-3H3.
What are the key properties of 1-bromo-5-chloro-3,4-dimethoxy-2-methylbenzene?
1-bromo-5-chloro-3,4-dimethoxy-2-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 1-bromo-5-chloro-3,4-dimethoxy-2-methylbenzene is sourced from PubChem (CID 84711440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).