2-[4-(2-carboxy-5-hydroxyphenyl)-3-phenylphenyl]-4-hydroxybenzoic acid

C26H18O6 — CID 69497360

IUPAC2-[4-(2-carboxy-5-hydroxyphenyl)-3-phenylphenyl]-4-hydroxybenzoic acid
SMILESO=C(O)c1ccc(O)cc1-c1ccc(-c2cc(O)ccc2C(=O)O)c(-c2ccccc2)c1
InChIInChI=1S/C26H18O6/c27-17-7-10-20(25(29)30)23(13-17)16-6-9-19(22(12-16)15-4-2-1-3-5-15)24-14-18(28)8-11-21(24)26(31)32/h1-14,27-28H,(H,29,30)(H,31,32)
InChIKeyMTHRKDFNFPTBLR-UHFFFAOYSA-N
MW426.42 g/mol
LogP5.50
Rot. Bonds5

About 2-[4-(2-carboxy-5-hydroxyphenyl)-3-phenylphenyl]-4-hydroxybenzoic acid

2-[4-(2-carboxy-5-hydroxyphenyl)-3-phenylphenyl]-4-hydroxybenzoic acid (PubChem CID 69497360) has the molecular formula C26H18O6 and a molecular weight of 426.42 g/mol. Its IUPAC name is 2-[4-(2-carboxy-5-hydroxyphenyl)-3-phenylphenyl]-4-hydroxybenzoic acid.

Molecular Properties

Compound Name2-[4-(2-carboxy-5-hydroxyphenyl)-3-phenylphenyl]-4-hydroxybenzoic acid
PubChem CID69497360
Molecular FormulaC26H18O6
Molecular Weight426.42 g/mol
Exact Mass426.11
IUPAC Name2-[4-(2-carboxy-5-hydroxyphenyl)-3-phenylphenyl]-4-hydroxybenzoic acid
SMILESO=C(O)c1ccc(O)cc1-c1ccc(-c2cc(O)ccc2C(=O)O)c(-c2ccccc2)c1
InChIInChI=1S/C26H18O6/c27-17-7-10-20(25(29)30)23(13-17)16-6-9-19(22(12-16)15-4-2-1-3-5-15)24-14-18(28)8-11-21(24)26(31)32/h1-14,27-28H,(H,29,30)(H,31,32)
InChIKeyMTHRKDFNFPTBLR-UHFFFAOYSA-N
XLogP5.50
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.42
LogP ≤ 55.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(2-carboxy-5-hydroxyphenyl)phenyl]-4-hydroxybenzoic acid
CID 146356534
potassium 4-hydroxy-2-phenylbenzoate
CID 69113981
3,4-diphenylphenol;sulfane
CID 172728711
2-[3,4-bis(2-carboxyphenyl)phenyl]benzoic acid
CID 154122846
4-(2-carboxyphenyl)-2-(4-carboxyphenyl)benzoic acid
CID 102275934
[4-(2-benzoyl-5-hydroxyphenyl)phenyl]-phenylmethanone
CID 121317125
4-(1,3-benzoxazol-2-yl)-2-(3-hydroxyphenyl)benzoic acid
CID 70478884
2-(2-phenylphenyl)terephthalic acid
CID 67851740
2-(2,3-dihydroxyphenyl)-4-hydroxybenzoic acid
CID 141273895
4-chloro-2-(3-hydroxyphenyl)benzoic acid
CID 53224976
4-[5-hydroxy-2-(4-hydroxyphenyl)phenyl]benzoic acid
CID 175428259
4-chloro-2-phenylbenzoic acid
CID 11424784

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-carboxy-5-hydroxyphenyl)-3-phenylphenyl]-4-hydroxybenzoic acid?
The IUPAC name of 2-[4-(2-carboxy-5-hydroxyphenyl)-3-phenylphenyl]-4-hydroxybenzoic acid (CID 69497360) is 2-[4-(2-carboxy-5-hydroxyphenyl)-3-phenylphenyl]-4-hydroxybenzoic acid.
What is the SMILES notation for 2-[4-(2-carboxy-5-hydroxyphenyl)-3-phenylphenyl]-4-hydroxybenzoic acid?
The canonical SMILES for 2-[4-(2-carboxy-5-hydroxyphenyl)-3-phenylphenyl]-4-hydroxybenzoic acid is O=C(O)c1ccc(O)cc1-c1ccc(-c2cc(O)ccc2C(=O)O)c(-c2ccccc2)c1.
What is the InChIKey of 2-[4-(2-carboxy-5-hydroxyphenyl)-3-phenylphenyl]-4-hydroxybenzoic acid?
The InChIKey is MTHRKDFNFPTBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18O6/c27-17-7-10-20(25(29)30)23(13-17)16-6-9-19(22(12-16)15-4-2-1-3-5-15)24-14-18(28)8-11-21(24)26(31)32/h1-14,27-28H,(H,29,30)(H,31,32).
What are the key properties of 2-[4-(2-carboxy-5-hydroxyphenyl)-3-phenylphenyl]-4-hydroxybenzoic acid?
2-[4-(2-carboxy-5-hydroxyphenyl)-3-phenylphenyl]-4-hydroxybenzoic acid has a molecular weight of 426.42 g/mol, XLogP of 5.50, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-carboxy-5-hydroxyphenyl)-3-phenylphenyl]-4-hydroxybenzoic acid is sourced from PubChem (CID 69497360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).