3,6-dihydroxy-4-phenylphthalic acid

C14H10O6 — CID 175175774

IUPAC3,6-dihydroxy-4-phenylphthalic acid
SMILESO=C(O)c1c(O)cc(-c2ccccc2)c(O)c1C(=O)O
InChIInChI=1S/C14H10O6/c15-9-6-8(7-4-2-1-3-5-7)12(16)11(14(19)20)10(9)13(17)18/h1-6,15-16H,(H,17,18)(H,19,20)
InChIKeySCMDCTDPCPHLLE-UHFFFAOYSA-N
MW274.23 g/mol
LogP2.16
Rot. Bonds3

About 3,6-dihydroxy-4-phenylphthalic acid

3,6-dihydroxy-4-phenylphthalic acid (PubChem CID 175175774) has the molecular formula C14H10O6 and a molecular weight of 274.23 g/mol. Its IUPAC name is 3,6-dihydroxy-4-phenylphthalic acid.

Molecular Properties

Compound Name3,6-dihydroxy-4-phenylphthalic acid
PubChem CID175175774
Molecular FormulaC14H10O6
Molecular Weight274.23 g/mol
Exact Mass274.05
IUPAC Name3,6-dihydroxy-4-phenylphthalic acid
SMILESO=C(O)c1c(O)cc(-c2ccccc2)c(O)c1C(=O)O
InChIInChI=1S/C14H10O6/c15-9-6-8(7-4-2-1-3-5-7)12(16)11(14(19)20)10(9)13(17)18/h1-6,15-16H,(H,17,18)(H,19,20)
InChIKeySCMDCTDPCPHLLE-UHFFFAOYSA-N
XLogP2.16
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 52.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2,5-dihydroxy-4-phenylbenzoic acid
CID 154086756
2-(4-hydroxy-3,5-diphenylbenzoyl)benzoic acid
CID 19788415
sodium;hydrogen carbonate;2-phenylphenol
CID 175078237
potassium 4-hydroxy-2-phenylbenzoate
CID 69113981
3-benzoyl-2,4,6-trihydroxybenzoic acid
CID 154360327
oxalic acid;2-phenylphenol
CID 162319962
2-hydroxy-5-methyl-3-phenylbenzoic acid;zinc
CID 58652419
disodium;4,5-diphenylphthalate
CID 134868371
2,3-dihydroxy-9,10-dioxoanthracene-1-carboxylic acid
CID 68853397
2-hydroxybenzaldehyde;5-phenylbenzene-1,2,3,4-tetrol
CID 175399417
3-hydroxy-2-methyl-5-phenylpyridine-4-carboxylic acid
CID 82391092
4-bromo-2,6-diphenylphenol
CID 11147454

Frequently Asked Questions

What is the IUPAC name of 3,6-dihydroxy-4-phenylphthalic acid?
The IUPAC name of 3,6-dihydroxy-4-phenylphthalic acid (CID 175175774) is 3,6-dihydroxy-4-phenylphthalic acid.
What is the SMILES notation for 3,6-dihydroxy-4-phenylphthalic acid?
The canonical SMILES for 3,6-dihydroxy-4-phenylphthalic acid is O=C(O)c1c(O)cc(-c2ccccc2)c(O)c1C(=O)O.
What is the InChIKey of 3,6-dihydroxy-4-phenylphthalic acid?
The InChIKey is SCMDCTDPCPHLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O6/c15-9-6-8(7-4-2-1-3-5-7)12(16)11(14(19)20)10(9)13(17)18/h1-6,15-16H,(H,17,18)(H,19,20).
What are the key properties of 3,6-dihydroxy-4-phenylphthalic acid?
3,6-dihydroxy-4-phenylphthalic acid has a molecular weight of 274.23 g/mol, XLogP of 2.16, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydroxy-4-phenylphthalic acid is sourced from PubChem (CID 175175774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).