3-(4-methoxyphenyl)-2-oxopropanoic acid

C10H10O4 — CID 578473

IUPAC3-(4-methoxyphenyl)-2-oxopropanoic acid
SMILESCOc1ccc(CC(=O)C(=O)O)cc1
InChIInChI=1S/C10H10O4/c1-14-8-4-2-7(3-5-8)6-9(11)10(12)13/h2-5H,6H2,1H3,(H,12,13)
InChIKeyAOPNPZIOVIPWMF-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.89
Rot. Bonds4

About 3-(4-methoxyphenyl)-2-oxopropanoic acid

3-(4-methoxyphenyl)-2-oxopropanoic acid (PubChem CID 578473) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2-oxopropanoic acid.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2-oxopropanoic acid
PubChem CID578473
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name3-(4-methoxyphenyl)-2-oxopropanoic acid
SMILESCOc1ccc(CC(=O)C(=O)O)cc1
InChIInChI=1S/C10H10O4/c1-14-8-4-2-7(3-5-8)6-9(11)10(12)13/h2-5H,6H2,1H3,(H,12,13)
InChIKeyAOPNPZIOVIPWMF-UHFFFAOYSA-N
XLogP0.89
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Hydroxyphenylacetic acid
CID 127
4-Hydroxyphenylpyruvic Acid
CID 979
Anisylacetone
CID 61007
4-Methoxybenzoic Acid
CID 7478
4-(p-ACETOXYPHENYL)-2-BUTANONE
CID 19137
(3,4-Dimethoxyphenyl)acetic acid
CID 7139
1-(p-Methoxyphenyl)-2-propanone
CID 31231
p-Cresyl octanoate
CID 43046
p-CRESYL PHENYLACETATE
CID 60997
4-Methoxyphenylacetic Acid
CID 7690
Dihydroferulic Acid
CID 14340
Anisyl phenylacetate
CID 7599

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2-oxopropanoic acid?
The IUPAC name of 3-(4-methoxyphenyl)-2-oxopropanoic acid (CID 578473) is 3-(4-methoxyphenyl)-2-oxopropanoic acid.
What is the SMILES notation for 3-(4-methoxyphenyl)-2-oxopropanoic acid?
The canonical SMILES for 3-(4-methoxyphenyl)-2-oxopropanoic acid is COc1ccc(CC(=O)C(=O)O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2-oxopropanoic acid?
The InChIKey is AOPNPZIOVIPWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4/c1-14-8-4-2-7(3-5-8)6-9(11)10(12)13/h2-5H,6H2,1H3,(H,12,13).
What are the key properties of 3-(4-methoxyphenyl)-2-oxopropanoic acid?
3-(4-methoxyphenyl)-2-oxopropanoic acid has a molecular weight of 194.19 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2-oxopropanoic acid is sourced from PubChem (CID 578473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).