2,2-bis[(2-hydroxyphenyl)methyl]propanedioic acid

C17H16O6 — CID 70599857

IUPAC2,2-bis[(2-hydroxyphenyl)methyl]propanedioic acid
SMILESO=C(O)C(Cc1ccccc1O)(Cc1ccccc1O)C(=O)O
InChIInChI=1S/C17H16O6/c18-13-7-3-1-5-11(13)9-17(15(20)21,16(22)23)10-12-6-2-4-8-14(12)19/h1-8,18-19H,9-10H2,(H,20,21)(H,22,23)
InChIKeyRIIMFAUSMCKMAJ-UHFFFAOYSA-N
MW316.31 g/mol
LogP2.04
Rot. Bonds6

About 2,2-bis[(2-hydroxyphenyl)methyl]propanedioic acid

2,2-bis[(2-hydroxyphenyl)methyl]propanedioic acid (PubChem CID 70599857) has the molecular formula C17H16O6 and a molecular weight of 316.31 g/mol. Its IUPAC name is 2,2-bis[(2-hydroxyphenyl)methyl]propanedioic acid.

Molecular Properties

Compound Name2,2-bis[(2-hydroxyphenyl)methyl]propanedioic acid
PubChem CID70599857
Molecular FormulaC17H16O6
Molecular Weight316.31 g/mol
Exact Mass316.09
IUPAC Name2,2-bis[(2-hydroxyphenyl)methyl]propanedioic acid
SMILESO=C(O)C(Cc1ccccc1O)(Cc1ccccc1O)C(=O)O
InChIInChI=1S/C17H16O6/c18-13-7-3-1-5-11(13)9-17(15(20)21,16(22)23)10-12-6-2-4-8-14(12)19/h1-8,18-19H,9-10H2,(H,20,21)(H,22,23)
InChIKeyRIIMFAUSMCKMAJ-UHFFFAOYSA-N
XLogP2.04
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 52.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2,2-bis[(2-hydroxyphenyl)methyl]propanedioic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azane;bis(2-(2-hydroxyphenyl)acetic acid)
CID 70465939
benzene;2-ethylphenol
CID 159726745
2-(2-amino-2-methylpropyl)phenol
CID 22723438
1-amino-3-(2-hydroxyphenyl)propan-2-one
CID 141322546
carbonic acid;1,2-diethylbenzene
CID 89388803
2-[[2-(carboxymethylamino)-3-(2-hydroxyphenyl)-2-[(2-hydroxyphenyl)methyl]propyl]amino]acetic acid;hydrate
CID 66787689
benzyl 3-(2-hydroxyphenyl)-2,2-dimethylpropanoate
CID 168825987
2-[(2-hydroxyphenyl)methylsulfonylmethyl]phenol
CID 54347733
2-(3-hydroxy-2,2-dimethylpropyl)phenol
CID 135339227
2-hydroxybenzoic acid;2-(2-hydroxyphenyl)acetic acid
CID 70273337
2-benzyl-2-ethyl-3-oxohexanoic acid
CID 154135206
2-[2-(2-methoxyethoxy)ethyl]-2-(naphthalen-1-ylmethyl)propanedioic acid
CID 70460837

Frequently Asked Questions

What is the IUPAC name of 2,2-bis[(2-hydroxyphenyl)methyl]propanedioic acid?
The IUPAC name of 2,2-bis[(2-hydroxyphenyl)methyl]propanedioic acid (CID 70599857) is 2,2-bis[(2-hydroxyphenyl)methyl]propanedioic acid.
What is the SMILES notation for 2,2-bis[(2-hydroxyphenyl)methyl]propanedioic acid?
The canonical SMILES for 2,2-bis[(2-hydroxyphenyl)methyl]propanedioic acid is O=C(O)C(Cc1ccccc1O)(Cc1ccccc1O)C(=O)O.
What is the InChIKey of 2,2-bis[(2-hydroxyphenyl)methyl]propanedioic acid?
The InChIKey is RIIMFAUSMCKMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O6/c18-13-7-3-1-5-11(13)9-17(15(20)21,16(22)23)10-12-6-2-4-8-14(12)19/h1-8,18-19H,9-10H2,(H,20,21)(H,22,23).
What are the key properties of 2,2-bis[(2-hydroxyphenyl)methyl]propanedioic acid?
2,2-bis[(2-hydroxyphenyl)methyl]propanedioic acid has a molecular weight of 316.31 g/mol, XLogP of 2.04, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis[(2-hydroxyphenyl)methyl]propanedioic acid is sourced from PubChem (CID 70599857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).