4,6-dihydroxy-2,5-dimethylbenzene-1,3-dicarboxylic acid

C10H10O6 — CID 90345911

IUPAC4,6-dihydroxy-2,5-dimethylbenzene-1,3-dicarboxylic acid
SMILESCc1c(O)c(C(=O)O)c(C)c(C(=O)O)c1O
InChIInChI=1S/C10H10O6/c1-3-5(9(13)14)7(11)4(2)8(12)6(3)10(15)16/h11-12H,1-2H3,(H,13,14)(H,15,16)
InChIKeyMSKYDLUHRZHSAH-UHFFFAOYSA-N
MW226.18 g/mol
LogP1.11
Rot. Bonds2

About 4,6-dihydroxy-2,5-dimethylbenzene-1,3-dicarboxylic acid

4,6-dihydroxy-2,5-dimethylbenzene-1,3-dicarboxylic acid (PubChem CID 90345911) has the molecular formula C10H10O6 and a molecular weight of 226.18 g/mol. Its IUPAC name is 4,6-dihydroxy-2,5-dimethylbenzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name4,6-dihydroxy-2,5-dimethylbenzene-1,3-dicarboxylic acid
PubChem CID90345911
Molecular FormulaC10H10O6
Molecular Weight226.18 g/mol
Exact Mass226.05
IUPAC Name4,6-dihydroxy-2,5-dimethylbenzene-1,3-dicarboxylic acid
SMILESCc1c(O)c(C(=O)O)c(C)c(C(=O)O)c1O
InChIInChI=1S/C10H10O6/c1-3-5(9(13)14)7(11)4(2)8(12)6(3)10(15)16/h11-12H,1-2H3,(H,13,14)(H,15,16)
InChIKeyMSKYDLUHRZHSAH-UHFFFAOYSA-N
XLogP1.11
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 51.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dihydroxy-2,5-dimethylbenzene-1,3-dicarboxylic acid?
The IUPAC name of 4,6-dihydroxy-2,5-dimethylbenzene-1,3-dicarboxylic acid (CID 90345911) is 4,6-dihydroxy-2,5-dimethylbenzene-1,3-dicarboxylic acid.
What is the SMILES notation for 4,6-dihydroxy-2,5-dimethylbenzene-1,3-dicarboxylic acid?
The canonical SMILES for 4,6-dihydroxy-2,5-dimethylbenzene-1,3-dicarboxylic acid is Cc1c(O)c(C(=O)O)c(C)c(C(=O)O)c1O.
What is the InChIKey of 4,6-dihydroxy-2,5-dimethylbenzene-1,3-dicarboxylic acid?
The InChIKey is MSKYDLUHRZHSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O6/c1-3-5(9(13)14)7(11)4(2)8(12)6(3)10(15)16/h11-12H,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 4,6-dihydroxy-2,5-dimethylbenzene-1,3-dicarboxylic acid?
4,6-dihydroxy-2,5-dimethylbenzene-1,3-dicarboxylic acid has a molecular weight of 226.18 g/mol, XLogP of 1.11, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dihydroxy-2,5-dimethylbenzene-1,3-dicarboxylic acid is sourced from PubChem (CID 90345911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).