4-(4-carboxy-2-phenylphenyl)-3-phenylbenzoic acid

C26H18O4 — CID 70288692

IUPAC4-(4-carboxy-2-phenylphenyl)-3-phenylbenzoic acid
SMILESO=C(O)c1ccc(-c2ccc(C(=O)O)cc2-c2ccccc2)c(-c2ccccc2)c1
InChIInChI=1S/C26H18O4/c27-25(28)19-11-13-21(23(15-19)17-7-3-1-4-8-17)22-14-12-20(26(29)30)16-24(22)18-9-5-2-6-10-18/h1-16H,(H,27,28)(H,29,30)
InChIKeyVYHWSFPMNHYTPG-UHFFFAOYSA-N
MW394.43 g/mol
LogP6.08
Rot. Bonds5

About 4-(4-carboxy-2-phenylphenyl)-3-phenylbenzoic acid

4-(4-carboxy-2-phenylphenyl)-3-phenylbenzoic acid (PubChem CID 70288692) has the molecular formula C26H18O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is 4-(4-carboxy-2-phenylphenyl)-3-phenylbenzoic acid.

Molecular Properties

Compound Name4-(4-carboxy-2-phenylphenyl)-3-phenylbenzoic acid
PubChem CID70288692
Molecular FormulaC26H18O4
Molecular Weight394.43 g/mol
Exact Mass394.12
IUPAC Name4-(4-carboxy-2-phenylphenyl)-3-phenylbenzoic acid
SMILESO=C(O)c1ccc(-c2ccc(C(=O)O)cc2-c2ccccc2)c(-c2ccccc2)c1
InChIInChI=1S/C26H18O4/c27-25(28)19-11-13-21(23(15-19)17-7-3-1-4-8-17)22-14-12-20(26(29)30)16-24(22)18-9-5-2-6-10-18/h1-16H,(H,27,28)(H,29,30)
InChIKeyVYHWSFPMNHYTPG-UHFFFAOYSA-N
XLogP6.08
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.43
LogP ≤ 56.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-carboxy-2-phenylphenyl)-3-phenylbenzoic acid?
The IUPAC name of 4-(4-carboxy-2-phenylphenyl)-3-phenylbenzoic acid (CID 70288692) is 4-(4-carboxy-2-phenylphenyl)-3-phenylbenzoic acid.
What is the SMILES notation for 4-(4-carboxy-2-phenylphenyl)-3-phenylbenzoic acid?
The canonical SMILES for 4-(4-carboxy-2-phenylphenyl)-3-phenylbenzoic acid is O=C(O)c1ccc(-c2ccc(C(=O)O)cc2-c2ccccc2)c(-c2ccccc2)c1.
What is the InChIKey of 4-(4-carboxy-2-phenylphenyl)-3-phenylbenzoic acid?
The InChIKey is VYHWSFPMNHYTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18O4/c27-25(28)19-11-13-21(23(15-19)17-7-3-1-4-8-17)22-14-12-20(26(29)30)16-24(22)18-9-5-2-6-10-18/h1-16H,(H,27,28)(H,29,30).
What are the key properties of 4-(4-carboxy-2-phenylphenyl)-3-phenylbenzoic acid?
4-(4-carboxy-2-phenylphenyl)-3-phenylbenzoic acid has a molecular weight of 394.43 g/mol, XLogP of 6.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carboxy-2-phenylphenyl)-3-phenylbenzoic acid is sourced from PubChem (CID 70288692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).