2-[4-hydroxy-3-(2-oxoethyl)phenyl]acetic acid

C10H10O4 — CID 19857297

IUPAC2-[4-hydroxy-3-(2-oxoethyl)phenyl]acetic acid
SMILESO=CCc1cc(CC(=O)O)ccc1O
InChIInChI=1S/C10H10O4/c11-4-3-8-5-7(6-10(13)14)1-2-9(8)12/h1-2,4-5,12H,3,6H2,(H,13,14)
InChIKeyKKYOBBFHWNXVEL-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.76
Rot. Bonds4

About 2-[4-hydroxy-3-(2-oxoethyl)phenyl]acetic acid

2-[4-hydroxy-3-(2-oxoethyl)phenyl]acetic acid (PubChem CID 19857297) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2-[4-hydroxy-3-(2-oxoethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-hydroxy-3-(2-oxoethyl)phenyl]acetic acid
PubChem CID19857297
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name2-[4-hydroxy-3-(2-oxoethyl)phenyl]acetic acid
SMILESO=CCc1cc(CC(=O)O)ccc1O
InChIInChI=1S/C10H10O4/c11-4-3-8-5-7(6-10(13)14)1-2-9(8)12/h1-2,4-5,12H,3,6H2,(H,13,14)
InChIKeyKKYOBBFHWNXVEL-UHFFFAOYSA-N
XLogP0.76
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.76
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

2-[4-hydroxy-3-(4-hydroxybut-2-enyl)phenyl]acetic acid
CID 70357174
2-(3,4-dihydroxyphenyl)acetic acid
CID 547
2-(2-hydroxy-5-methylphenyl)acetaldehyde
CID 23471205
2-(5-fluoro-2-hydroxyphenyl)acetaldehyde
CID 87254004
2-[2,5-dihydroxy-4-(2-oxoethyl)phenyl]acetaldehyde
CID 166062863
2-(4-hydroxy-3-phosphanylphenyl)acetaldehyde
CID 144598449
2-(4-hydroxy-3-methoxyphenyl)acetic acid;hydrate
CID 141474134
2-[3-(5-formylfuran-2-yl)-4-hydroxyphenyl]acetic acid
CID 169333038
2-(3-benzoyl-4-hydroxyphenyl)acetic acid
CID 91883998
2-(3-ethyl-2,4-dihydroxyphenyl)acetaldehyde
CID 87795646
2-(1,3-benzodioxol-5-yl)acetic acid;hydrochloride
CID 67706541
2-[3-(4-bromobut-1-enyl)-4-hydroxyphenyl]acetic acid
CID 170498007

Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-3-(2-oxoethyl)phenyl]acetic acid?
The IUPAC name of 2-[4-hydroxy-3-(2-oxoethyl)phenyl]acetic acid (CID 19857297) is 2-[4-hydroxy-3-(2-oxoethyl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-hydroxy-3-(2-oxoethyl)phenyl]acetic acid?
The canonical SMILES for 2-[4-hydroxy-3-(2-oxoethyl)phenyl]acetic acid is O=CCc1cc(CC(=O)O)ccc1O.
What is the InChIKey of 2-[4-hydroxy-3-(2-oxoethyl)phenyl]acetic acid?
The InChIKey is KKYOBBFHWNXVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4/c11-4-3-8-5-7(6-10(13)14)1-2-9(8)12/h1-2,4-5,12H,3,6H2,(H,13,14).
What are the key properties of 2-[4-hydroxy-3-(2-oxoethyl)phenyl]acetic acid?
2-[4-hydroxy-3-(2-oxoethyl)phenyl]acetic acid has a molecular weight of 194.19 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-3-(2-oxoethyl)phenyl]acetic acid is sourced from PubChem (CID 19857297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).