1,2-dibromo-3-methoxybenzene

C7H6Br2O — CID 11958056

IUPAC1,2-dibromo-3-methoxybenzene
SMILESCOc1cccc(Br)c1Br
InChIInChI=1S/C7H6Br2O/c1-10-6-4-2-3-5(8)7(6)9/h2-4H,1H3
InChIKeyKMUOJHYDIKYRQO-UHFFFAOYSA-N
MW265.93 g/mol
LogP3.22
Rot. Bonds1

About 1,2-dibromo-3-methoxybenzene

1,2-dibromo-3-methoxybenzene (PubChem CID 11958056) has the molecular formula C7H6Br2O and a molecular weight of 265.93 g/mol. Its IUPAC name is 1,2-dibromo-3-methoxybenzene.

Molecular Properties

Compound Name1,2-dibromo-3-methoxybenzene
PubChem CID11958056
Molecular FormulaC7H6Br2O
Molecular Weight265.93 g/mol
Exact Mass263.88
IUPAC Name1,2-dibromo-3-methoxybenzene
SMILESCOc1cccc(Br)c1Br
InChIInChI=1S/C7H6Br2O/c1-10-6-4-2-3-5(8)7(6)9/h2-4H,1H3
InChIKeyKMUOJHYDIKYRQO-UHFFFAOYSA-N
XLogP3.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.93
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,2-dibromo-3-methoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-bromo-3-methoxy-2-methylbenzene
CID 18505255
1-bromo-2-methoxybenzene;ethane
CID 91096433
(2-bromo-3-methoxyphenyl)methanol
CID 54103130
1-bromo-2-[(2-methoxyphenyl)methyl]benzene
CID 165410095
2-bromo-1,3-bis(2,6-dimethoxyphenyl)benzene
CID 51042386
2-bromo-6-methoxybenzenecarbothioamide
CID 114882804
2-bromo-1-cyclopropyl-3-methoxybenzene
CID 130114065
2-bromo-1-methoxy-3-prop-1-ynylbenzene
CID 42611829
1-bromo-2-(1-fluoroethyl)-3-methoxybenzene
CID 84696327
4-bromo-5-methoxy-9H-fluorene
CID 151444335
2-(2-bromo-3-methoxyphenyl)ethanamine
CID 83711367
(2-bromophenyl)-bis(2,6-dimethoxyphenyl)phosphane
CID 151973130

Frequently Asked Questions

What is the IUPAC name of 1,2-dibromo-3-methoxybenzene?
The IUPAC name of 1,2-dibromo-3-methoxybenzene (CID 11958056) is 1,2-dibromo-3-methoxybenzene.
What is the SMILES notation for 1,2-dibromo-3-methoxybenzene?
The canonical SMILES for 1,2-dibromo-3-methoxybenzene is COc1cccc(Br)c1Br.
What is the InChIKey of 1,2-dibromo-3-methoxybenzene?
The InChIKey is KMUOJHYDIKYRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Br2O/c1-10-6-4-2-3-5(8)7(6)9/h2-4H,1H3.
What are the key properties of 1,2-dibromo-3-methoxybenzene?
1,2-dibromo-3-methoxybenzene has a molecular weight of 265.93 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibromo-3-methoxybenzene is sourced from PubChem (CID 11958056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).