4-(4-hydroxyphenyl)-3-oxobutanoic acid

C10H10O4 — CID 91396936

IUPAC4-(4-hydroxyphenyl)-3-oxobutanoic acid
SMILESO=C(O)CC(=O)Cc1ccc(O)cc1
InChIInChI=1S/C10H10O4/c11-8-3-1-7(2-4-8)5-9(12)6-10(13)14/h1-4,11H,5-6H2,(H,13,14)
InChIKeyGOHWNTHJTYCFRV-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.98
Rot. Bonds4

About 4-(4-hydroxyphenyl)-3-oxobutanoic acid

4-(4-hydroxyphenyl)-3-oxobutanoic acid (PubChem CID 91396936) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)-3-oxobutanoic acid.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)-3-oxobutanoic acid
PubChem CID91396936
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name4-(4-hydroxyphenyl)-3-oxobutanoic acid
SMILESO=C(O)CC(=O)Cc1ccc(O)cc1
InChIInChI=1S/C10H10O4/c11-8-3-1-7(2-4-8)5-9(12)6-10(13)14/h1-4,11H,5-6H2,(H,13,14)
InChIKeyGOHWNTHJTYCFRV-UHFFFAOYSA-N
XLogP0.98
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 ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1,3-bis(4-hydroxyphenyl)propan-2-one
CID 159297209
3-oxo-4-[4-(trifluoromethyl)phenyl]butanoic acid
CID 53443936
2-[4-[[(4-hydroxyphenyl)methylamino]methyl]phenyl]acetic acid
CID 103268485
3-oxo-4-(4-phenylmethoxyphenyl)butanoic acid
CID 143233810
4-(4-nitrophenyl)-3-oxobutanoic acid
CID 90710883
4-(2-aminoprop-2-enyl)phenol;carbonic acid
CID 158851238
1-[4-(4-hydroxyphenyl)phenyl]-4-phenylbutan-2-one
CID 71035018
2-(4-hydroxyphenyl)acetic acid;methyl 2-(4-hydroxyphenyl)acetate
CID 159047656
benzene;3-(4-hydroxyphenyl)-2-oxopropanoic acid
CID 175418924
tetrakis(1,5-diphenylpentane-2,4-dione);zirconium(2+)
CID 18435295
4-[4-(4-amino-2,4-dioxobutyl)phenyl]-3-oxobutanamide
CID 154143629
sodium 2-(4-hydroxyphenyl)acetate
CID 23664575

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)-3-oxobutanoic acid?
The IUPAC name of 4-(4-hydroxyphenyl)-3-oxobutanoic acid (CID 91396936) is 4-(4-hydroxyphenyl)-3-oxobutanoic acid.
What is the SMILES notation for 4-(4-hydroxyphenyl)-3-oxobutanoic acid?
The canonical SMILES for 4-(4-hydroxyphenyl)-3-oxobutanoic acid is O=C(O)CC(=O)Cc1ccc(O)cc1.
What is the InChIKey of 4-(4-hydroxyphenyl)-3-oxobutanoic acid?
The InChIKey is GOHWNTHJTYCFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4/c11-8-3-1-7(2-4-8)5-9(12)6-10(13)14/h1-4,11H,5-6H2,(H,13,14).
What are the key properties of 4-(4-hydroxyphenyl)-3-oxobutanoic acid?
4-(4-hydroxyphenyl)-3-oxobutanoic acid has a molecular weight of 194.19 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)-3-oxobutanoic acid is sourced from PubChem (CID 91396936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).