4,6-dihydroxy-2,3-dimethylbenzoic acid

C9H10O4 — CID 71365885

IUPAC4,6-dihydroxy-2,3-dimethylbenzoic acid
SMILESCc1c(O)cc(O)c(C(=O)O)c1C
InChIInChI=1S/C9H10O4/c1-4-5(2)8(9(12)13)7(11)3-6(4)10/h3,10-11H,1-2H3,(H,12,13)
InChIKeyGIBRZOCMRFRCOQ-UHFFFAOYSA-N
MW182.17 g/mol
LogP1.41
Rot. Bonds1

About 4,6-dihydroxy-2,3-dimethylbenzoic acid

4,6-dihydroxy-2,3-dimethylbenzoic acid (PubChem CID 71365885) has the molecular formula C9H10O4 and a molecular weight of 182.17 g/mol. Its IUPAC name is 4,6-dihydroxy-2,3-dimethylbenzoic acid.

Molecular Properties

Compound Name4,6-dihydroxy-2,3-dimethylbenzoic acid
PubChem CID71365885
Molecular FormulaC9H10O4
Molecular Weight182.17 g/mol
Exact Mass182.06
IUPAC Name4,6-dihydroxy-2,3-dimethylbenzoic acid
SMILESCc1c(O)cc(O)c(C(=O)O)c1C
InChIInChI=1S/C9H10O4/c1-4-5(2)8(9(12)13)7(11)3-6(4)10/h3,10-11H,1-2H3,(H,12,13)
InChIKeyGIBRZOCMRFRCOQ-UHFFFAOYSA-N
XLogP1.41
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dihydroxy-2,3-dimethylbenzoic acid?
The IUPAC name of 4,6-dihydroxy-2,3-dimethylbenzoic acid (CID 71365885) is 4,6-dihydroxy-2,3-dimethylbenzoic acid.
What is the SMILES notation for 4,6-dihydroxy-2,3-dimethylbenzoic acid?
The canonical SMILES for 4,6-dihydroxy-2,3-dimethylbenzoic acid is Cc1c(O)cc(O)c(C(=O)O)c1C.
What is the InChIKey of 4,6-dihydroxy-2,3-dimethylbenzoic acid?
The InChIKey is GIBRZOCMRFRCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4/c1-4-5(2)8(9(12)13)7(11)3-6(4)10/h3,10-11H,1-2H3,(H,12,13).
What are the key properties of 4,6-dihydroxy-2,3-dimethylbenzoic acid?
4,6-dihydroxy-2,3-dimethylbenzoic acid has a molecular weight of 182.17 g/mol, XLogP of 1.41, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dihydroxy-2,3-dimethylbenzoic acid is sourced from PubChem (CID 71365885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).