3-hydroxy-2,5-dimethylterephthalic acid

C10H10O5 — CID 169085386

IUPAC3-hydroxy-2,5-dimethylterephthalic acid
SMILESCc1cc(C(=O)O)c(C)c(O)c1C(=O)O
InChIInChI=1S/C10H10O5/c1-4-3-6(9(12)13)5(2)8(11)7(4)10(14)15/h3,11H,1-2H3,(H,12,13)(H,14,15)
InChIKeyRBRHWEDOMJRUFF-UHFFFAOYSA-N
MW210.18 g/mol
LogP1.41
Rot. Bonds2

About 3-hydroxy-2,5-dimethylterephthalic acid

3-hydroxy-2,5-dimethylterephthalic acid (PubChem CID 169085386) has the molecular formula C10H10O5 and a molecular weight of 210.18 g/mol. Its IUPAC name is 3-hydroxy-2,5-dimethylterephthalic acid.

Molecular Properties

Compound Name3-hydroxy-2,5-dimethylterephthalic acid
PubChem CID169085386
Molecular FormulaC10H10O5
Molecular Weight210.18 g/mol
Exact Mass210.05
IUPAC Name3-hydroxy-2,5-dimethylterephthalic acid
SMILESCc1cc(C(=O)O)c(C)c(O)c1C(=O)O
InChIInChI=1S/C10H10O5/c1-4-3-6(9(12)13)5(2)8(11)7(4)10(14)15/h3,11H,1-2H3,(H,12,13)(H,14,15)
InChIKeyRBRHWEDOMJRUFF-UHFFFAOYSA-N
XLogP1.41
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydroxy-2,5-dimethylbenzoic acid
CID 18992107
4-bromo-3-hydroxy-2,5-dimethylbenzoic acid
CID 84802761
3-hydroxy-2,4,6-trimethylbenzoic acid
CID 84657275
2-hydroxy-3,5,6-trimethylbenzoic acid
CID 23352517
3-hydroxy-4,5-dimethyl-2-sulfanylbenzoic acid
CID 175169696
4-bromooxy-2-hydroxy-3,6-dimethylbenzoic acid
CID 177152774
3-fluoro-2,4,5-trimethylbenzoic acid
CID 21472508
5-hydroxy-2,4-dimethylbenzene-1,3-dicarboxylic acid
CID 19963527
5-amino-3-hydroxy-2,4-dimethylbenzoic acid
CID 105439220
4-formyl-3,5-dimethylphthalic acid
CID 121217143
3-ethyl-2,4,5-trimethylbenzoic acid
CID 175228961
2-[4-(6-carboxy-3-hydroxy-2,4-dimethylphenyl)-2,3,5,6-tetramethylphenyl]-4-hydroxy-3,5-dimethylbenzoic acid
CID 150850601

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,5-dimethylterephthalic acid?
The IUPAC name of 3-hydroxy-2,5-dimethylterephthalic acid (CID 169085386) is 3-hydroxy-2,5-dimethylterephthalic acid.
What is the SMILES notation for 3-hydroxy-2,5-dimethylterephthalic acid?
The canonical SMILES for 3-hydroxy-2,5-dimethylterephthalic acid is Cc1cc(C(=O)O)c(C)c(O)c1C(=O)O.
What is the InChIKey of 3-hydroxy-2,5-dimethylterephthalic acid?
The InChIKey is RBRHWEDOMJRUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O5/c1-4-3-6(9(12)13)5(2)8(11)7(4)10(14)15/h3,11H,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 3-hydroxy-2,5-dimethylterephthalic acid?
3-hydroxy-2,5-dimethylterephthalic acid has a molecular weight of 210.18 g/mol, XLogP of 1.41, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2,5-dimethylterephthalic acid is sourced from PubChem (CID 169085386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).