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

C9H10O4 — CID 736228

IUPAC2,4-dihydroxy-3,6-dimethylbenzoic acid
SMILESCc1cc(O)c(C)c(O)c1C(=O)O
InChIInChI=1S/C9H10O4/c1-4-3-6(10)5(2)8(11)7(4)9(12)13/h3,10-11H,1-2H3,(H,12,13)
InChIKeyVHNLJRRECIZZPX-UHFFFAOYSA-N
MW182.17 g/mol
LogP1.41
Rot. Bonds1

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

2,4-dihydroxy-3,6-dimethylbenzoic acid (PubChem CID 736228) has the molecular formula C9H10O4 and a molecular weight of 182.17 g/mol. Its IUPAC name is 2,4-dihydroxy-3,6-dimethylbenzoic acid.

Molecular Properties

Compound Name2,4-dihydroxy-3,6-dimethylbenzoic acid
PubChem CID736228
Molecular FormulaC9H10O4
Molecular Weight182.17 g/mol
Exact Mass182.06
IUPAC Name2,4-dihydroxy-3,6-dimethylbenzoic acid
SMILESCc1cc(O)c(C)c(O)c1C(=O)O
InChIInChI=1S/C9H10O4/c1-4-3-6(10)5(2)8(11)7(4)9(12)13/h3,10-11H,1-2H3,(H,12,13)
InChIKeyVHNLJRRECIZZPX-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 2,4-dihydroxy-3,6-dimethylbenzoic acid?
The IUPAC name of 2,4-dihydroxy-3,6-dimethylbenzoic acid (CID 736228) is 2,4-dihydroxy-3,6-dimethylbenzoic acid.
What is the SMILES notation for 2,4-dihydroxy-3,6-dimethylbenzoic acid?
The canonical SMILES for 2,4-dihydroxy-3,6-dimethylbenzoic acid is Cc1cc(O)c(C)c(O)c1C(=O)O.
What is the InChIKey of 2,4-dihydroxy-3,6-dimethylbenzoic acid?
The InChIKey is VHNLJRRECIZZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4/c1-4-3-6(10)5(2)8(11)7(4)9(12)13/h3,10-11H,1-2H3,(H,12,13).
What are the key properties of 2,4-dihydroxy-3,6-dimethylbenzoic acid?
2,4-dihydroxy-3,6-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 2,4-dihydroxy-3,6-dimethylbenzoic acid is sourced from PubChem (CID 736228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).