(2,3-dibromo-5-methoxyphenyl)methanol

C8H8Br2O2 — CID 171002427

IUPAC(2,3-dibromo-5-methoxyphenyl)methanol
SMILESCOc1cc(Br)c(Br)c(CO)c1
InChIInChI=1S/C8H8Br2O2/c1-12-6-2-5(4-11)8(10)7(9)3-6/h2-3,11H,4H2,1H3
InChIKeyHPCXVEMEYNQRBH-UHFFFAOYSA-N
MW295.96 g/mol
LogP2.71
Rot. Bonds2

About (2,3-dibromo-5-methoxyphenyl)methanol

(2,3-dibromo-5-methoxyphenyl)methanol (PubChem CID 171002427) has the molecular formula C8H8Br2O2 and a molecular weight of 295.96 g/mol. Its IUPAC name is (2,3-dibromo-5-methoxyphenyl)methanol.

Molecular Properties

Compound Name(2,3-dibromo-5-methoxyphenyl)methanol
PubChem CID171002427
Molecular FormulaC8H8Br2O2
Molecular Weight295.96 g/mol
Exact Mass293.89
IUPAC Name(2,3-dibromo-5-methoxyphenyl)methanol
SMILESCOc1cc(Br)c(Br)c(CO)c1
InChIInChI=1S/C8H8Br2O2/c1-12-6-2-5(4-11)8(10)7(9)3-6/h2-3,11H,4H2,1H3
InChIKeyHPCXVEMEYNQRBH-UHFFFAOYSA-N
XLogP2.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.96
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,3-dibromo-5-methoxyphenyl)methanol?
The IUPAC name of (2,3-dibromo-5-methoxyphenyl)methanol (CID 171002427) is (2,3-dibromo-5-methoxyphenyl)methanol.
What is the SMILES notation for (2,3-dibromo-5-methoxyphenyl)methanol?
The canonical SMILES for (2,3-dibromo-5-methoxyphenyl)methanol is COc1cc(Br)c(Br)c(CO)c1.
What is the InChIKey of (2,3-dibromo-5-methoxyphenyl)methanol?
The InChIKey is HPCXVEMEYNQRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Br2O2/c1-12-6-2-5(4-11)8(10)7(9)3-6/h2-3,11H,4H2,1H3.
What are the key properties of (2,3-dibromo-5-methoxyphenyl)methanol?
(2,3-dibromo-5-methoxyphenyl)methanol has a molecular weight of 295.96 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dibromo-5-methoxyphenyl)methanol is sourced from PubChem (CID 171002427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).