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

C10H10O5 — CID 70435403

IUPAC3-hydroxy-3-(4-methoxyphenyl)-2-oxopropanoic acid
SMILESCOc1ccc(C(O)C(=O)C(=O)O)cc1
InChIInChI=1S/C10H10O5/c1-15-7-4-2-6(3-5-7)8(11)9(12)10(13)14/h2-5,8,11H,1H3,(H,13,14)
InChIKeyRDLRJAPUEFDSRO-UHFFFAOYSA-N
MW210.18 g/mol
LogP0.38
Rot. Bonds4

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

3-hydroxy-3-(4-methoxyphenyl)-2-oxopropanoic acid (PubChem CID 70435403) has the molecular formula C10H10O5 and a molecular weight of 210.18 g/mol. Its IUPAC name is 3-hydroxy-3-(4-methoxyphenyl)-2-oxopropanoic acid.

Molecular Properties

Compound Name3-hydroxy-3-(4-methoxyphenyl)-2-oxopropanoic acid
PubChem CID70435403
Molecular FormulaC10H10O5
Molecular Weight210.18 g/mol
Exact Mass210.05
IUPAC Name3-hydroxy-3-(4-methoxyphenyl)-2-oxopropanoic acid
SMILESCOc1ccc(C(O)C(=O)C(=O)O)cc1
InChIInChI=1S/C10H10O5/c1-15-7-4-2-6(3-5-7)8(11)9(12)10(13)14/h2-5,8,11H,1H3,(H,13,14)
InChIKeyRDLRJAPUEFDSRO-UHFFFAOYSA-N
XLogP0.38
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-hydroxy-2-(4-methoxyphenyl)acetic acid
CID 6951708
ethane;2-hydroxy-2-(4-methoxyphenyl)acetic acid
CID 143238154
1-hydroxy-1-(4-methoxyphenyl)propan-2-one
CID 10080999
calcium bis(2-hydroxy-2-(4-methoxyphenyl)acetate)
CID 140565006
(2S)-2-hydroxy-2-(4-methoxyphenyl)-N-methylacetamide
CID 92859938
propan-2-yl (2S)-2-hydroxy-2-(4-methoxyphenyl)acetate
CID 129353793
4-hydroxy-4-(4-methoxyphenyl)-2-oxobutanoic acid
CID 102408394
(1R)-1-hydroxy-1-(4-methoxyphenyl)-4-phenylbutan-2-one
CID 135044338
(2S,3R)-2-amino-3-hydroxy-3-(4-methoxyphenyl)propanoic acid
CID 10965805
4-hydroxy-4-(4-methoxyphenyl)butanoic acid
CID 4193826
(3R)-2-chloro-3-hydroxy-3-(4-methoxyphenyl)propanoic acid
CID 140981337
2-hydroxy-2-(4-methoxyphenyl)-N,N-dimethylethanethioamide
CID 10198432

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-(4-methoxyphenyl)-2-oxopropanoic acid?
The IUPAC name of 3-hydroxy-3-(4-methoxyphenyl)-2-oxopropanoic acid (CID 70435403) is 3-hydroxy-3-(4-methoxyphenyl)-2-oxopropanoic acid.
What is the SMILES notation for 3-hydroxy-3-(4-methoxyphenyl)-2-oxopropanoic acid?
The canonical SMILES for 3-hydroxy-3-(4-methoxyphenyl)-2-oxopropanoic acid is COc1ccc(C(O)C(=O)C(=O)O)cc1.
What is the InChIKey of 3-hydroxy-3-(4-methoxyphenyl)-2-oxopropanoic acid?
The InChIKey is RDLRJAPUEFDSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O5/c1-15-7-4-2-6(3-5-7)8(11)9(12)10(13)14/h2-5,8,11H,1H3,(H,13,14).
What are the key properties of 3-hydroxy-3-(4-methoxyphenyl)-2-oxopropanoic acid?
3-hydroxy-3-(4-methoxyphenyl)-2-oxopropanoic acid has a molecular weight of 210.18 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(4-methoxyphenyl)-2-oxopropanoic acid is sourced from PubChem (CID 70435403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).