2-hydroxy-2-[2-(3-oxopropyl)phenyl]acetic acid

C11H12O4 — CID 118852502

IUPAC2-hydroxy-2-[2-(3-oxopropyl)phenyl]acetic acid
SMILESO=CCCc1ccccc1C(O)C(=O)O
InChIInChI=1S/C11H12O4/c12-7-3-5-8-4-1-2-6-9(8)10(13)11(14)15/h1-2,4,6-7,10,13H,3,5H2,(H,14,15)
InChIKeyQIMBGBGWRDHTDW-UHFFFAOYSA-N
MW208.21 g/mol
LogP0.94
Rot. Bonds5

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

2-hydroxy-2-[2-(3-oxopropyl)phenyl]acetic acid (PubChem CID 118852502) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is 2-hydroxy-2-[2-(3-oxopropyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-[2-(3-oxopropyl)phenyl]acetic acid
PubChem CID118852502
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name2-hydroxy-2-[2-(3-oxopropyl)phenyl]acetic acid
SMILESO=CCCc1ccccc1C(O)C(=O)O
InChIInChI=1S/C11H12O4/c12-7-3-5-8-4-1-2-6-9(8)10(13)11(14)15/h1-2,4,6-7,10,13H,3,5H2,(H,14,15)
InChIKeyQIMBGBGWRDHTDW-UHFFFAOYSA-N
XLogP0.94
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 50.94
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-[2-ethoxy-3-(3-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 134656868
2-[2-ethoxycarbonyl-3-(3-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 134644881
2-[4-(difluoromethyl)-2-(3-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 134656672
2-hydroxy-2-[3-methyl-2-(3-oxopropyl)phenyl]acetic acid
CID 134657702
2-[2-(chloromethyl)-6-(3-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 118809890
2-[2-bromo-6-(3-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 119015861
2-hydroxy-2-[4-methylsulfanyl-2-(3-oxopropyl)phenyl]acetic acid
CID 118851199
2-[3-(difluoromethyl)-4-(3-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 134656671
2-[2-(chloromethyl)-5-(3-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 118809984
2-hydroxy-2-[3-hydroxy-4-(3-oxopropyl)phenyl]acetic acid
CID 134657277
2-hydroxy-2-[5-(3-oxopropyl)-2-sulfanylphenyl]acetic acid
CID 134657511
2-[2-chloro-4-(3-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 119000816

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[2-(3-oxopropyl)phenyl]acetic acid?
The IUPAC name of 2-hydroxy-2-[2-(3-oxopropyl)phenyl]acetic acid (CID 118852502) is 2-hydroxy-2-[2-(3-oxopropyl)phenyl]acetic acid.
What is the SMILES notation for 2-hydroxy-2-[2-(3-oxopropyl)phenyl]acetic acid?
The canonical SMILES for 2-hydroxy-2-[2-(3-oxopropyl)phenyl]acetic acid is O=CCCc1ccccc1C(O)C(=O)O.
What is the InChIKey of 2-hydroxy-2-[2-(3-oxopropyl)phenyl]acetic acid?
The InChIKey is QIMBGBGWRDHTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c12-7-3-5-8-4-1-2-6-9(8)10(13)11(14)15/h1-2,4,6-7,10,13H,3,5H2,(H,14,15).
What are the key properties of 2-hydroxy-2-[2-(3-oxopropyl)phenyl]acetic acid?
2-hydroxy-2-[2-(3-oxopropyl)phenyl]acetic acid has a molecular weight of 208.21 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[2-(3-oxopropyl)phenyl]acetic acid is sourced from PubChem (CID 118852502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).