4-bromo-2-methylbenzene-1,3-diol

C7H7BrO2 — CID 15004925

IUPAC4-bromo-2-methylbenzene-1,3-diol
SMILESCc1c(O)ccc(Br)c1O
InChIInChI=1S/C7H7BrO2/c1-4-6(9)3-2-5(8)7(4)10/h2-3,9-10H,1H3
InChIKeyZDFHPMDMEQBVHZ-UHFFFAOYSA-N
MW203.03 g/mol
LogP2.17
Rot. Bonds

About 4-bromo-2-methylbenzene-1,3-diol

4-bromo-2-methylbenzene-1,3-diol (PubChem CID 15004925) has the molecular formula C7H7BrO2 and a molecular weight of 203.03 g/mol. Its IUPAC name is 4-bromo-2-methylbenzene-1,3-diol.

Molecular Properties

Compound Name4-bromo-2-methylbenzene-1,3-diol
PubChem CID15004925
Molecular FormulaC7H7BrO2
Molecular Weight203.03 g/mol
Exact Mass201.96
IUPAC Name4-bromo-2-methylbenzene-1,3-diol
SMILESCc1c(O)ccc(Br)c1O
InChIInChI=1S/C7H7BrO2/c1-4-6(9)3-2-5(8)7(4)10/h2-3,9-10H,1H3
InChIKeyZDFHPMDMEQBVHZ-UHFFFAOYSA-N
XLogP2.17
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.03
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methylbenzene-1,3-diol?
The IUPAC name of 4-bromo-2-methylbenzene-1,3-diol (CID 15004925) is 4-bromo-2-methylbenzene-1,3-diol.
What is the SMILES notation for 4-bromo-2-methylbenzene-1,3-diol?
The canonical SMILES for 4-bromo-2-methylbenzene-1,3-diol is Cc1c(O)ccc(Br)c1O.
What is the InChIKey of 4-bromo-2-methylbenzene-1,3-diol?
The InChIKey is ZDFHPMDMEQBVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrO2/c1-4-6(9)3-2-5(8)7(4)10/h2-3,9-10H,1H3.
What are the key properties of 4-bromo-2-methylbenzene-1,3-diol?
4-bromo-2-methylbenzene-1,3-diol has a molecular weight of 203.03 g/mol, XLogP of 2.17, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methylbenzene-1,3-diol is sourced from PubChem (CID 15004925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).