(2,3-dibromo-4,5-dimethoxyphenyl)methanol

C9H10Br2O3 — CID 23426699

IUPAC(2,3-dibromo-4,5-dimethoxyphenyl)methanol
SMILESCOc1cc(CO)c(Br)c(Br)c1OC
InChIInChI=1S/C9H10Br2O3/c1-13-6-3-5(4-12)7(10)8(11)9(6)14-2/h3,12H,4H2,1-2H3
InChIKeyZOBCRRQATCOMRW-UHFFFAOYSA-N
MW325.98 g/mol
LogP2.72
Rot. Bonds3

About (2,3-dibromo-4,5-dimethoxyphenyl)methanol

(2,3-dibromo-4,5-dimethoxyphenyl)methanol (PubChem CID 23426699) has the molecular formula C9H10Br2O3 and a molecular weight of 325.98 g/mol. Its IUPAC name is (2,3-dibromo-4,5-dimethoxyphenyl)methanol.

Molecular Properties

Compound Name(2,3-dibromo-4,5-dimethoxyphenyl)methanol
PubChem CID23426699
Molecular FormulaC9H10Br2O3
Molecular Weight325.98 g/mol
Exact Mass323.90
IUPAC Name(2,3-dibromo-4,5-dimethoxyphenyl)methanol
SMILESCOc1cc(CO)c(Br)c(Br)c1OC
InChIInChI=1S/C9H10Br2O3/c1-13-6-3-5(4-12)7(10)8(11)9(6)14-2/h3,12H,4H2,1-2H3
InChIKeyZOBCRRQATCOMRW-UHFFFAOYSA-N
XLogP2.72
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.98
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,3-dibromo-4,5-dimethoxyphenyl)methanol?
The IUPAC name of (2,3-dibromo-4,5-dimethoxyphenyl)methanol (CID 23426699) is (2,3-dibromo-4,5-dimethoxyphenyl)methanol.
What is the SMILES notation for (2,3-dibromo-4,5-dimethoxyphenyl)methanol?
The canonical SMILES for (2,3-dibromo-4,5-dimethoxyphenyl)methanol is COc1cc(CO)c(Br)c(Br)c1OC.
What is the InChIKey of (2,3-dibromo-4,5-dimethoxyphenyl)methanol?
The InChIKey is ZOBCRRQATCOMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Br2O3/c1-13-6-3-5(4-12)7(10)8(11)9(6)14-2/h3,12H,4H2,1-2H3.
What are the key properties of (2,3-dibromo-4,5-dimethoxyphenyl)methanol?
(2,3-dibromo-4,5-dimethoxyphenyl)methanol has a molecular weight of 325.98 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dibromo-4,5-dimethoxyphenyl)methanol is sourced from PubChem (CID 23426699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).