3-(3-carboxy-2-phenylphenoxy)-2-phenylbenzoic acid

C26H18O5 — CID 142659865

IUPAC3-(3-carboxy-2-phenylphenoxy)-2-phenylbenzoic acid
SMILESO=C(O)c1cccc(Oc2cccc(C(=O)O)c2-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C26H18O5/c27-25(28)19-13-7-15-21(23(19)17-9-3-1-4-10-17)31-22-16-8-14-20(26(29)30)24(22)18-11-5-2-6-12-18/h1-16H,(H,27,28)(H,29,30)
InChIKeyJWVBFGDSZSGZBI-UHFFFAOYSA-N
MW410.43 g/mol
LogP6.21
Rot. Bonds6

About 3-(3-carboxy-2-phenylphenoxy)-2-phenylbenzoic acid

3-(3-carboxy-2-phenylphenoxy)-2-phenylbenzoic acid (PubChem CID 142659865) has the molecular formula C26H18O5 and a molecular weight of 410.43 g/mol. Its IUPAC name is 3-(3-carboxy-2-phenylphenoxy)-2-phenylbenzoic acid.

Molecular Properties

Compound Name3-(3-carboxy-2-phenylphenoxy)-2-phenylbenzoic acid
PubChem CID142659865
Molecular FormulaC26H18O5
Molecular Weight410.43 g/mol
Exact Mass410.12
IUPAC Name3-(3-carboxy-2-phenylphenoxy)-2-phenylbenzoic acid
SMILESO=C(O)c1cccc(Oc2cccc(C(=O)O)c2-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C26H18O5/c27-25(28)19-13-7-15-21(23(19)17-9-3-1-4-10-17)31-22-16-8-14-20(26(29)30)24(22)18-11-5-2-6-12-18/h1-16H,(H,27,28)(H,29,30)
InChIKeyJWVBFGDSZSGZBI-UHFFFAOYSA-N
XLogP6.21
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.43
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(3-carboxy-2-phenylphenoxy)-2-phenylbenzoic acid?
The IUPAC name of 3-(3-carboxy-2-phenylphenoxy)-2-phenylbenzoic acid (CID 142659865) is 3-(3-carboxy-2-phenylphenoxy)-2-phenylbenzoic acid.
What is the SMILES notation for 3-(3-carboxy-2-phenylphenoxy)-2-phenylbenzoic acid?
The canonical SMILES for 3-(3-carboxy-2-phenylphenoxy)-2-phenylbenzoic acid is O=C(O)c1cccc(Oc2cccc(C(=O)O)c2-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 3-(3-carboxy-2-phenylphenoxy)-2-phenylbenzoic acid?
The InChIKey is JWVBFGDSZSGZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18O5/c27-25(28)19-13-7-15-21(23(19)17-9-3-1-4-10-17)31-22-16-8-14-20(26(29)30)24(22)18-11-5-2-6-12-18/h1-16H,(H,27,28)(H,29,30).
What are the key properties of 3-(3-carboxy-2-phenylphenoxy)-2-phenylbenzoic acid?
3-(3-carboxy-2-phenylphenoxy)-2-phenylbenzoic acid has a molecular weight of 410.43 g/mol, XLogP of 6.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-carboxy-2-phenylphenoxy)-2-phenylbenzoic acid is sourced from PubChem (CID 142659865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).