1-bromo-3-chloro-2,4-dimethoxybenzene

C8H8BrClO2 — CID 53217015

IUPAC1-bromo-3-chloro-2,4-dimethoxybenzene
SMILESCOc1ccc(Br)c(OC)c1Cl
InChIInChI=1S/C8H8BrClO2/c1-11-6-4-3-5(9)8(12-2)7(6)10/h3-4H,1-2H3
InChIKeyUWFOXBKVWIZPQJ-UHFFFAOYSA-N
MW251.51 g/mol
LogP3.12
Rot. Bonds2

About 1-bromo-3-chloro-2,4-dimethoxybenzene

1-bromo-3-chloro-2,4-dimethoxybenzene (PubChem CID 53217015) has the molecular formula C8H8BrClO2 and a molecular weight of 251.51 g/mol. Its IUPAC name is 1-bromo-3-chloro-2,4-dimethoxybenzene.

Molecular Properties

Compound Name1-bromo-3-chloro-2,4-dimethoxybenzene
PubChem CID53217015
Molecular FormulaC8H8BrClO2
Molecular Weight251.51 g/mol
Exact Mass249.94
IUPAC Name1-bromo-3-chloro-2,4-dimethoxybenzene
SMILESCOc1ccc(Br)c(OC)c1Cl
InChIInChI=1S/C8H8BrClO2/c1-11-6-4-3-5(9)8(12-2)7(6)10/h3-4H,1-2H3
InChIKeyUWFOXBKVWIZPQJ-UHFFFAOYSA-N
XLogP3.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.51
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dibromo-2,4-dimethoxybenzene
CID 11645053
1,4-dibromo-2,3-dimethoxybenzene
CID 15784959
1-bromo-3-(2-chloro-3-methoxyphenyl)-2-methoxybenzene
CID 173336086
4-bromo-2-chloro-3-methoxybenzonitrile
CID 130064387
6-bromo-2-chloro-3-methoxybenzenecarbothioamide
CID 134589009
1-bromo-4-methoxynaphthalene;ethane
CID 143974048
1-bromo-2,4-dimethoxy-3-(methoxymethyl)benzene
CID 10989047
6-bromo-3-chloro-2,4-dimethoxyaniline
CID 58946772
(2-bromo-4-chlorophenyl)-(3-chloro-2,4-dimethoxyphenyl)methanone
CID 107987239
(3-chloro-2,4-dimethoxyphenyl)-(2,4-dibromophenyl)methanamine
CID 107950937
(3-bromo-4-chlorophenyl)-(3-chloro-2,4-dimethoxyphenyl)methanamine
CID 107998932
1-[bromo-(3-bromo-2-fluorophenyl)methyl]-3-chloro-2,4-dimethoxybenzene
CID 107959177

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-chloro-2,4-dimethoxybenzene?
The IUPAC name of 1-bromo-3-chloro-2,4-dimethoxybenzene (CID 53217015) is 1-bromo-3-chloro-2,4-dimethoxybenzene.
What is the SMILES notation for 1-bromo-3-chloro-2,4-dimethoxybenzene?
The canonical SMILES for 1-bromo-3-chloro-2,4-dimethoxybenzene is COc1ccc(Br)c(OC)c1Cl.
What is the InChIKey of 1-bromo-3-chloro-2,4-dimethoxybenzene?
The InChIKey is UWFOXBKVWIZPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClO2/c1-11-6-4-3-5(9)8(12-2)7(6)10/h3-4H,1-2H3.
What are the key properties of 1-bromo-3-chloro-2,4-dimethoxybenzene?
1-bromo-3-chloro-2,4-dimethoxybenzene has a molecular weight of 251.51 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-chloro-2,4-dimethoxybenzene is sourced from PubChem (CID 53217015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).