2,3-dihydroxy-1-phenylpropan-1-one;terephthalic acid

C17H16O7 — CID 160588894

IUPAC2,3-dihydroxy-1-phenylpropan-1-one;terephthalic acid
SMILESO=C(O)c1ccc(C(=O)O)cc1.O=C(c1ccccc1)C(O)CO
InChIInChI=1S/C9H10O3.C8H6O4/c10-6-8(11)9(12)7-4-2-1-3-5-7;9-7(10)5-1-2-6(4-3-5)8(11)12/h1-5,8,10-11H,6H2;1-4H,(H,9,10)(H,11,12)
InChIKeyRCTCTCJPOCBMES-UHFFFAOYSA-N
MW332.31 g/mol
LogP1.31
Rot. Bonds5

About 2,3-dihydroxy-1-phenylpropan-1-one;terephthalic acid

2,3-dihydroxy-1-phenylpropan-1-one;terephthalic acid (PubChem CID 160588894) has the molecular formula C17H16O7 and a molecular weight of 332.31 g/mol. Its IUPAC name is 2,3-dihydroxy-1-phenylpropan-1-one;terephthalic acid.

Molecular Properties

Compound Name2,3-dihydroxy-1-phenylpropan-1-one;terephthalic acid
PubChem CID160588894
Molecular FormulaC17H16O7
Molecular Weight332.31 g/mol
Exact Mass332.09
IUPAC Name2,3-dihydroxy-1-phenylpropan-1-one;terephthalic acid
SMILESO=C(O)c1ccc(C(=O)O)cc1.O=C(c1ccccc1)C(O)CO
InChIInChI=1S/C9H10O3.C8H6O4/c10-6-8(11)9(12)7-4-2-1-3-5-7;9-7(10)5-1-2-6(4-3-5)8(11)12/h1-5,8,10-11H,6H2;1-4H,(H,9,10)(H,11,12)
InChIKeyRCTCTCJPOCBMES-UHFFFAOYSA-N
XLogP1.31
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 51.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

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tris(propane-1,2-diol);terephthalic acid
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CID 87090637
CID 87293530
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CID 139063467
benzoic acid;trihydrate
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benzoic acid;λ2-plumbane
CID 174927932
Lithium benzoate, 99%
CID 57451198
benzoic acid;2,3,4,5-tetramethylhexane-1,6-diol
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4-amino-2-hydroxy-1-phenylbutan-1-one
CID 57182499

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-1-phenylpropan-1-one;terephthalic acid?
The IUPAC name of 2,3-dihydroxy-1-phenylpropan-1-one;terephthalic acid (CID 160588894) is 2,3-dihydroxy-1-phenylpropan-1-one;terephthalic acid.
What is the SMILES notation for 2,3-dihydroxy-1-phenylpropan-1-one;terephthalic acid?
The canonical SMILES for 2,3-dihydroxy-1-phenylpropan-1-one;terephthalic acid is O=C(O)c1ccc(C(=O)O)cc1.O=C(c1ccccc1)C(O)CO.
What is the InChIKey of 2,3-dihydroxy-1-phenylpropan-1-one;terephthalic acid?
The InChIKey is RCTCTCJPOCBMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3.C8H6O4/c10-6-8(11)9(12)7-4-2-1-3-5-7;9-7(10)5-1-2-6(4-3-5)8(11)12/h1-5,8,10-11H,6H2;1-4H,(H,9,10)(H,11,12).
What are the key properties of 2,3-dihydroxy-1-phenylpropan-1-one;terephthalic acid?
2,3-dihydroxy-1-phenylpropan-1-one;terephthalic acid has a molecular weight of 332.31 g/mol, XLogP of 1.31, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-1-phenylpropan-1-one;terephthalic acid is sourced from PubChem (CID 160588894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).