2,3-dihydroxy-3-[4-(2-hydroxyethyl)phenyl]propanoic acid

C11H14O5 — CID 170823909

IUPAC2,3-dihydroxy-3-[4-(2-hydroxyethyl)phenyl]propanoic acid
SMILESO=C(O)C(O)C(O)c1ccc(CCO)cc1
InChIInChI=1S/C11H14O5/c12-6-5-7-1-3-8(4-2-7)9(13)10(14)11(15)16/h1-4,9-10,12-14H,5-6H2,(H,15,16)
InChIKeyLLIVHKMVYCGQII-UHFFFAOYSA-N
MW226.23 g/mol
LogP-0.30
Rot. Bonds5

About 2,3-dihydroxy-3-[4-(2-hydroxyethyl)phenyl]propanoic acid

2,3-dihydroxy-3-[4-(2-hydroxyethyl)phenyl]propanoic acid (PubChem CID 170823909) has the molecular formula C11H14O5 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2,3-dihydroxy-3-[4-(2-hydroxyethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name2,3-dihydroxy-3-[4-(2-hydroxyethyl)phenyl]propanoic acid
PubChem CID170823909
Molecular FormulaC11H14O5
Molecular Weight226.23 g/mol
Exact Mass226.08
IUPAC Name2,3-dihydroxy-3-[4-(2-hydroxyethyl)phenyl]propanoic acid
SMILESO=C(O)C(O)C(O)c1ccc(CCO)cc1
InChIInChI=1S/C11H14O5/c12-6-5-7-1-3-8(4-2-7)9(13)10(14)11(15)16/h1-4,9-10,12-14H,5-6H2,(H,15,16)
InChIKeyLLIVHKMVYCGQII-UHFFFAOYSA-N
XLogP-0.30
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-0.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dihydroxy-4-[4-(2-hydroxyethyl)phenyl]butanoic acid
CID 171877617
2,3-dihydroxy-3-[4-(methoxymethyl)phenyl]propanoic acid
CID 170823892
3-[4-[(tert-butylamino)methyl]phenyl]-2,3-dihydroxypropanoic acid
CID 170824867
N-[3,4-dihydroxy-4-[4-(2-hydroxyethyl)phenyl]butyl]acetamide
CID 171882991
trihydroxy-[4-(2-hydroxyethyl)phenyl]phosphanium
CID 67571365
(2S)-2-amino-3-[4-(2-hydroxyethyl)phenyl]propanoic acid
CID 67057392
3-(4-ethynylphenyl)-2,3-dihydroxypropanoic acid
CID 170823533
2-amino-3-[4-(2-hydroxyethyl)phenyl]propanoic acid
CID 77218984
4-(2-hydroxyethyl)benzoic acid
CID 506062
3-[4-(2-cyanoacetyl)phenyl]-2,3-dihydroxypropanoic acid
CID 170824657
2,3-dihydroxy-3-(4-sulfamoylphenyl)propanoic acid
CID 170824387
2,3-dihydroxy-3-[4-(2-methylpropoxy)phenyl]propanoic acid
CID 170825217

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-3-[4-(2-hydroxyethyl)phenyl]propanoic acid?
The IUPAC name of 2,3-dihydroxy-3-[4-(2-hydroxyethyl)phenyl]propanoic acid (CID 170823909) is 2,3-dihydroxy-3-[4-(2-hydroxyethyl)phenyl]propanoic acid.
What is the SMILES notation for 2,3-dihydroxy-3-[4-(2-hydroxyethyl)phenyl]propanoic acid?
The canonical SMILES for 2,3-dihydroxy-3-[4-(2-hydroxyethyl)phenyl]propanoic acid is O=C(O)C(O)C(O)c1ccc(CCO)cc1.
What is the InChIKey of 2,3-dihydroxy-3-[4-(2-hydroxyethyl)phenyl]propanoic acid?
The InChIKey is LLIVHKMVYCGQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O5/c12-6-5-7-1-3-8(4-2-7)9(13)10(14)11(15)16/h1-4,9-10,12-14H,5-6H2,(H,15,16).
What are the key properties of 2,3-dihydroxy-3-[4-(2-hydroxyethyl)phenyl]propanoic acid?
2,3-dihydroxy-3-[4-(2-hydroxyethyl)phenyl]propanoic acid has a molecular weight of 226.23 g/mol, XLogP of -0.30, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-3-[4-(2-hydroxyethyl)phenyl]propanoic acid is sourced from PubChem (CID 170823909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).