5-formyl-2-hydroxy-3,4-dimethylbenzoic acid

C10H10O4 — CID 87724241

IUPAC5-formyl-2-hydroxy-3,4-dimethylbenzoic acid
SMILESCc1c(C=O)cc(C(=O)O)c(O)c1C
InChIInChI=1S/C10H10O4/c1-5-6(2)9(12)8(10(13)14)3-7(5)4-11/h3-4,12H,1-2H3,(H,13,14)
InChIKeyZODAOMJPIGXUFV-UHFFFAOYSA-N
MW194.19 g/mol
LogP1.52
Rot. Bonds2

About 5-formyl-2-hydroxy-3,4-dimethylbenzoic acid

5-formyl-2-hydroxy-3,4-dimethylbenzoic acid (PubChem CID 87724241) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is 5-formyl-2-hydroxy-3,4-dimethylbenzoic acid.

Molecular Properties

Compound Name5-formyl-2-hydroxy-3,4-dimethylbenzoic acid
PubChem CID87724241
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name5-formyl-2-hydroxy-3,4-dimethylbenzoic acid
SMILESCc1c(C=O)cc(C(=O)O)c(O)c1C
InChIInChI=1S/C10H10O4/c1-5-6(2)9(12)8(10(13)14)3-7(5)4-11/h3-4,12H,1-2H3,(H,13,14)
InChIKeyZODAOMJPIGXUFV-UHFFFAOYSA-N
XLogP1.52
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-formyl-3-hydroxy-2-methylbenzoic acid
CID 118952920
5-fluoro-2-hydroxy-3,4-dimethylbenzoic acid
CID 142521933
5-formyl-2-hydroxy-3-methylbenzoic acid
CID 158743279
4-formyl-2-hydroxy-5-methylbenzoic acid
CID 170993830
5-chloro-2,4-dihydroxy-3-methylbenzoic acid
CID 22169093
2-fluoro-5-formyl-4-methylbenzoic acid
CID 115016078
3-formyl-2-hydroxy-5-nitrobenzoic acid
CID 23423382
2,5-diformyl-4-methoxycarbonylbenzoic acid;methoxymethane
CID 176556695
2,4-difluoro-5-formylbenzoic acid
CID 53405251
2-carbamoyl-5-formylterephthalic acid
CID 89087191
3,4-dihydroxy-2,5-dimethylbenzoic acid
CID 18992107
5-tert-butyl-4-chloro-2-hydroxy-3-methylbenzoic acid
CID 22945013

Frequently Asked Questions

What is the IUPAC name of 5-formyl-2-hydroxy-3,4-dimethylbenzoic acid?
The IUPAC name of 5-formyl-2-hydroxy-3,4-dimethylbenzoic acid (CID 87724241) is 5-formyl-2-hydroxy-3,4-dimethylbenzoic acid.
What is the SMILES notation for 5-formyl-2-hydroxy-3,4-dimethylbenzoic acid?
The canonical SMILES for 5-formyl-2-hydroxy-3,4-dimethylbenzoic acid is Cc1c(C=O)cc(C(=O)O)c(O)c1C.
What is the InChIKey of 5-formyl-2-hydroxy-3,4-dimethylbenzoic acid?
The InChIKey is ZODAOMJPIGXUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4/c1-5-6(2)9(12)8(10(13)14)3-7(5)4-11/h3-4,12H,1-2H3,(H,13,14).
What are the key properties of 5-formyl-2-hydroxy-3,4-dimethylbenzoic acid?
5-formyl-2-hydroxy-3,4-dimethylbenzoic acid has a molecular weight of 194.19 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formyl-2-hydroxy-3,4-dimethylbenzoic acid is sourced from PubChem (CID 87724241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).