2-(2,3-dihydroxyphenyl)-2-phenylpropanedioic acid

C15H12O6 — CID 150062060

IUPAC2-(2,3-dihydroxyphenyl)-2-phenylpropanedioic acid
SMILESO=C(O)C(C(=O)O)(c1ccccc1)c1cccc(O)c1O
InChIInChI=1S/C15H12O6/c16-11-8-4-7-10(12(11)17)15(13(18)19,14(20)21)9-5-2-1-3-6-9/h1-8,16-17H,(H,18,19)(H,20,21)
InChIKeyDNMQZZWZFUCACH-UHFFFAOYSA-N
MW288.25 g/mol
LogP1.55
Rot. Bonds4

About 2-(2,3-dihydroxyphenyl)-2-phenylpropanedioic acid

2-(2,3-dihydroxyphenyl)-2-phenylpropanedioic acid (PubChem CID 150062060) has the molecular formula C15H12O6 and a molecular weight of 288.25 g/mol. Its IUPAC name is 2-(2,3-dihydroxyphenyl)-2-phenylpropanedioic acid.

Molecular Properties

Compound Name2-(2,3-dihydroxyphenyl)-2-phenylpropanedioic acid
PubChem CID150062060
Molecular FormulaC15H12O6
Molecular Weight288.25 g/mol
Exact Mass288.06
IUPAC Name2-(2,3-dihydroxyphenyl)-2-phenylpropanedioic acid
SMILESO=C(O)C(C(=O)O)(c1ccccc1)c1cccc(O)c1O
InChIInChI=1S/C15H12O6/c16-11-8-4-7-10(12(11)17)15(13(18)19,14(20)21)9-5-2-1-3-6-9/h1-8,16-17H,(H,18,19)(H,20,21)
InChIKeyDNMQZZWZFUCACH-UHFFFAOYSA-N
XLogP1.55
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 51.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-tritylbenzene-1,2-diol
CID 68658229
3-[(2-hydroxy-3-methylphenyl)-diphenylmethyl]benzene-1,2-diol
CID 118041075
calcium 2,2-diphenylpropanedioate
CID 153423965
2-hydroxy-3-tritylbenzoic acid
CID 19779155
1-[(2,3-dihydroxyphenyl)-(4-hydroxyphenyl)-phenylmethyl]pyridin-1-ium-4-carboxamide
CID 70548613
3-(1,1-diphenylethyl)-2-hydroxybenzoic acid
CID 139751324
ethane;2-hydroxy-2,2-diphenylacetic acid
CID 143307418
CID 175980360
CID 175980360
CID 161419410
CID 161419410
(2S,3S)-2,3-dihydroxy-2,3-diphenylbutanedioic acid
CID 101336800
(2R,3R)-2,3-dihydroxy-2,3-diphenylbutanedioic acid
CID 101336799
2,3,3,3-tetrafluoro-2-(2-hydroxyphenyl)propanoic acid
CID 84736706

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroxyphenyl)-2-phenylpropanedioic acid?
The IUPAC name of 2-(2,3-dihydroxyphenyl)-2-phenylpropanedioic acid (CID 150062060) is 2-(2,3-dihydroxyphenyl)-2-phenylpropanedioic acid.
What is the SMILES notation for 2-(2,3-dihydroxyphenyl)-2-phenylpropanedioic acid?
The canonical SMILES for 2-(2,3-dihydroxyphenyl)-2-phenylpropanedioic acid is O=C(O)C(C(=O)O)(c1ccccc1)c1cccc(O)c1O.
What is the InChIKey of 2-(2,3-dihydroxyphenyl)-2-phenylpropanedioic acid?
The InChIKey is DNMQZZWZFUCACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O6/c16-11-8-4-7-10(12(11)17)15(13(18)19,14(20)21)9-5-2-1-3-6-9/h1-8,16-17H,(H,18,19)(H,20,21).
What are the key properties of 2-(2,3-dihydroxyphenyl)-2-phenylpropanedioic acid?
2-(2,3-dihydroxyphenyl)-2-phenylpropanedioic acid has a molecular weight of 288.25 g/mol, XLogP of 1.55, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroxyphenyl)-2-phenylpropanedioic acid is sourced from PubChem (CID 150062060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).