2-(2-formyl-4-methylphenyl)-2-hydroxyacetic acid

C10H10O4 — CID 117284304

IUPAC2-(2-formyl-4-methylphenyl)-2-hydroxyacetic acid
SMILESCc1ccc(C(O)C(=O)O)c(C=O)c1
InChIInChI=1S/C10H10O4/c1-6-2-3-8(7(4-6)5-11)9(12)10(13)14/h2-5,9,12H,1H3,(H,13,14)
InChIKeyXCWHVJWPYUDZIF-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.93
Rot. Bonds3

About 2-(2-formyl-4-methylphenyl)-2-hydroxyacetic acid

2-(2-formyl-4-methylphenyl)-2-hydroxyacetic acid (PubChem CID 117284304) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2-(2-formyl-4-methylphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(2-formyl-4-methylphenyl)-2-hydroxyacetic acid
PubChem CID117284304
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name2-(2-formyl-4-methylphenyl)-2-hydroxyacetic acid
SMILESCc1ccc(C(O)C(=O)O)c(C=O)c1
InChIInChI=1S/C10H10O4/c1-6-2-3-8(7(4-6)5-11)9(12)10(13)14/h2-5,9,12H,1H3,(H,13,14)
InChIKeyXCWHVJWPYUDZIF-UHFFFAOYSA-N
XLogP0.93
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.93
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-(2-formyl-4-methylphenyl)-3,4-dihydroxybutanoic acid
CID 171877603
2-(2-cyano-3-formyl-5-methylphenyl)-2-hydroxyacetic acid
CID 171017521
4-(2-formyl-4-methylphenyl)-3,4-dihydroxybutanamide
CID 171899102
2-(2-ethenyl-4-methylphenyl)propanoic acid
CID 54325809
2-(1-amino-2-hydroxyethyl)-5-methylbenzaldehyde
CID 117277988
3-(2-formyl-4-methylphenyl)-2-methylpropanoic acid
CID 117294712
2-[1,2-dihydroxy-4-(methylamino)butyl]-5-methylbenzaldehyde
CID 171890145
2-[2-(3-chloropropyl)-4-methylphenyl]-2-hydroxyacetic acid
CID 118814212
4-(2-formyl-5-methylphenyl)-3,4-dihydroxybutanoic acid
CID 171877602
3-(2-formyl-5-methylphenyl)prop-2-enoic acid
CID 169460428
2-(2,5-dimethylphenyl)-3-oxopropanoic acid
CID 22600118
2-hydroxy-2-(6-methyl-1H-indol-3-yl)acetic acid
CID 131561654

Frequently Asked Questions

What is the IUPAC name of 2-(2-formyl-4-methylphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(2-formyl-4-methylphenyl)-2-hydroxyacetic acid (CID 117284304) is 2-(2-formyl-4-methylphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(2-formyl-4-methylphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(2-formyl-4-methylphenyl)-2-hydroxyacetic acid is Cc1ccc(C(O)C(=O)O)c(C=O)c1.
What is the InChIKey of 2-(2-formyl-4-methylphenyl)-2-hydroxyacetic acid?
The InChIKey is XCWHVJWPYUDZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4/c1-6-2-3-8(7(4-6)5-11)9(12)10(13)14/h2-5,9,12H,1H3,(H,13,14).
What are the key properties of 2-(2-formyl-4-methylphenyl)-2-hydroxyacetic acid?
2-(2-formyl-4-methylphenyl)-2-hydroxyacetic acid has a molecular weight of 194.19 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formyl-4-methylphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 117284304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).