1-bromo-4-chloro-3-methoxy-2,5-dimethylbenzene

C9H10BrClO — CID 84803778

IUPAC1-bromo-4-chloro-3-methoxy-2,5-dimethylbenzene
SMILESCOc1c(C)c(Br)cc(C)c1Cl
InChIInChI=1S/C9H10BrClO/c1-5-4-7(10)6(2)9(12-3)8(5)11/h4H,1-3H3
InChIKeyOOJVPGNPVYRDPX-UHFFFAOYSA-N
MW249.53 g/mol
LogP3.73
Rot. Bonds1

About 1-bromo-4-chloro-3-methoxy-2,5-dimethylbenzene

1-bromo-4-chloro-3-methoxy-2,5-dimethylbenzene (PubChem CID 84803778) has the molecular formula C9H10BrClO and a molecular weight of 249.53 g/mol. Its IUPAC name is 1-bromo-4-chloro-3-methoxy-2,5-dimethylbenzene.

Molecular Properties

Compound Name1-bromo-4-chloro-3-methoxy-2,5-dimethylbenzene
PubChem CID84803778
Molecular FormulaC9H10BrClO
Molecular Weight249.53 g/mol
Exact Mass247.96
IUPAC Name1-bromo-4-chloro-3-methoxy-2,5-dimethylbenzene
SMILESCOc1c(C)c(Br)cc(C)c1Cl
InChIInChI=1S/C9H10BrClO/c1-5-4-7(10)6(2)9(12-3)8(5)11/h4H,1-3H3
InChIKeyOOJVPGNPVYRDPX-UHFFFAOYSA-N
XLogP3.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.53
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-5-chloro-3,4-dimethoxy-2-methylbenzene
CID 84711440
5-bromo-2,3-dimethoxy-4-methylphenol
CID 84705997
4-chloro-1,2,3-trimethoxy-5-methylbenzene;ethane
CID 145244698
2-(4-bromo-2-methoxy-3,6-dimethylphenyl)acetonitrile
CID 84804582
6-bromo-2-methoxy-3,4-dimethylphenol
CID 84694174
1-bromo-3-[bromo-(3-chloro-2-methylphenyl)methyl]-4-methoxy-2,5-dimethylbenzene
CID 107099369
(5-bromo-2-methoxy-3,6-dimethylphenyl)-(5-chlorofuran-2-yl)methanone
CID 106683887
2-(4-bromo-2-methoxy-3,6-dimethylphenyl)-2-methylpropan-1-ol
CID 117463241
(5-bromo-2-methoxy-3,6-dimethylphenyl)-(3-chloro-4-methylthiophen-2-yl)methanamine
CID 103401379
2-amino-1-(4-bromo-2-methoxy-3,6-dimethylphenyl)ethanone
CID 82625822
1-bromo-4-chloro-5-[(4-cyclopropylphenyl)methyl]-3-methoxy-2-methylbenzene
CID 90086986
methyl 5-bromo-2-methoxy-3,6-dimethylbenzoate
CID 50883037

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-chloro-3-methoxy-2,5-dimethylbenzene?
The IUPAC name of 1-bromo-4-chloro-3-methoxy-2,5-dimethylbenzene (CID 84803778) is 1-bromo-4-chloro-3-methoxy-2,5-dimethylbenzene.
What is the SMILES notation for 1-bromo-4-chloro-3-methoxy-2,5-dimethylbenzene?
The canonical SMILES for 1-bromo-4-chloro-3-methoxy-2,5-dimethylbenzene is COc1c(C)c(Br)cc(C)c1Cl.
What is the InChIKey of 1-bromo-4-chloro-3-methoxy-2,5-dimethylbenzene?
The InChIKey is OOJVPGNPVYRDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClO/c1-5-4-7(10)6(2)9(12-3)8(5)11/h4H,1-3H3.
What are the key properties of 1-bromo-4-chloro-3-methoxy-2,5-dimethylbenzene?
1-bromo-4-chloro-3-methoxy-2,5-dimethylbenzene has a molecular weight of 249.53 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-chloro-3-methoxy-2,5-dimethylbenzene is sourced from PubChem (CID 84803778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).