2,3-dihydroxy-2-phenoxybutanoic acid

C10H12O5 — CID 154366652

IUPAC2,3-dihydroxy-2-phenoxybutanoic acid
SMILESCC(O)C(O)(Oc1ccccc1)C(=O)O
InChIInChI=1S/C10H12O5/c1-7(11)10(14,9(12)13)15-8-5-3-2-4-6-8/h2-7,11,14H,1H3,(H,12,13)
InChIKeyQFDBNCIBRWMXLY-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.22
Rot. Bonds4

About 2,3-dihydroxy-2-phenoxybutanoic acid

2,3-dihydroxy-2-phenoxybutanoic acid (PubChem CID 154366652) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is 2,3-dihydroxy-2-phenoxybutanoic acid.

Molecular Properties

Compound Name2,3-dihydroxy-2-phenoxybutanoic acid
PubChem CID154366652
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Name2,3-dihydroxy-2-phenoxybutanoic acid
SMILESCC(O)C(O)(Oc1ccccc1)C(=O)O
InChIInChI=1S/C10H12O5/c1-7(11)10(14,9(12)13)15-8-5-3-2-4-6-8/h2-7,11,14H,1H3,(H,12,13)
InChIKeyQFDBNCIBRWMXLY-UHFFFAOYSA-N
XLogP0.22
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-2-phenoxy-2-phenylbutanedioic acid
CID 70563438
2,2-dibromo-2-phenoxyacetic acid
CID 154192322
propan-2-ol;trifluoromethoxybenzene
CID 161029707
2-(1-carboxyethylamino)-2-phenoxypropanoic acid
CID 69471950
methyl 2-hydroxy-3-phenoxy-3-phenylbutanoate
CID 15766824
2-phenoxy-2-phenylbutanoic acid
CID 20567350
2,2-diphenoxybutanoic acid
CID 159827255
3-chloro-2-phenoxybutan-2-ol
CID 154389199
diphenyl benzene-1,2-dicarboxylate;trihydroxy(methyl)phosphanium
CID 158752634
2-phenoxy-2-phenylbutanoic acid;dihydrate
CID 20567349
methyl 2-hydroxy-2-phenoxypropanoate
CID 67592988
2,2-difluoro-2-(4-phenoxyphenoxy)acetic acid
CID 43651840

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-2-phenoxybutanoic acid?
The IUPAC name of 2,3-dihydroxy-2-phenoxybutanoic acid (CID 154366652) is 2,3-dihydroxy-2-phenoxybutanoic acid.
What is the SMILES notation for 2,3-dihydroxy-2-phenoxybutanoic acid?
The canonical SMILES for 2,3-dihydroxy-2-phenoxybutanoic acid is CC(O)C(O)(Oc1ccccc1)C(=O)O.
What is the InChIKey of 2,3-dihydroxy-2-phenoxybutanoic acid?
The InChIKey is QFDBNCIBRWMXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O5/c1-7(11)10(14,9(12)13)15-8-5-3-2-4-6-8/h2-7,11,14H,1H3,(H,12,13).
What are the key properties of 2,3-dihydroxy-2-phenoxybutanoic acid?
2,3-dihydroxy-2-phenoxybutanoic acid has a molecular weight of 212.20 g/mol, XLogP of 0.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-2-phenoxybutanoic acid is sourced from PubChem (CID 154366652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).