2-[2-(5-chloro-2-phenylmethoxyphenyl)phenyl]benzoic acid

C26H19ClO3 — CID 44581620

IUPAC2-[2-(5-chloro-2-phenylmethoxyphenyl)phenyl]benzoic acid
SMILESO=C(O)c1ccccc1-c1ccccc1-c1cc(Cl)ccc1OCc1ccccc1
InChIInChI=1S/C26H19ClO3/c27-19-14-15-25(30-17-18-8-2-1-3-9-18)24(16-19)22-12-5-4-10-20(22)21-11-6-7-13-23(21)26(28)29/h1-16H,17H2,(H,28,29)
InChIKeyQZESGEXIOWAAMM-UHFFFAOYSA-N
MW414.89 g/mol
LogP6.95
Rot. Bonds6

About 2-[2-(5-chloro-2-phenylmethoxyphenyl)phenyl]benzoic acid

2-[2-(5-chloro-2-phenylmethoxyphenyl)phenyl]benzoic acid (PubChem CID 44581620) has the molecular formula C26H19ClO3 and a molecular weight of 414.89 g/mol. Its IUPAC name is 2-[2-(5-chloro-2-phenylmethoxyphenyl)phenyl]benzoic acid.

Molecular Properties

Compound Name2-[2-(5-chloro-2-phenylmethoxyphenyl)phenyl]benzoic acid
PubChem CID44581620
Molecular FormulaC26H19ClO3
Molecular Weight414.89 g/mol
Exact Mass414.10
IUPAC Name2-[2-(5-chloro-2-phenylmethoxyphenyl)phenyl]benzoic acid
SMILESO=C(O)c1ccccc1-c1ccccc1-c1cc(Cl)ccc1OCc1ccccc1
InChIInChI=1S/C26H19ClO3/c27-19-14-15-25(30-17-18-8-2-1-3-9-18)24(16-19)22-12-5-4-10-20(22)21-11-6-7-13-23(21)26(28)29/h1-16H,17H2,(H,28,29)
InChIKeyQZESGEXIOWAAMM-UHFFFAOYSA-N
XLogP6.95
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.89
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-chloro-2-phenylmethoxyphenyl)phenyl]benzoic acid?
The IUPAC name of 2-[2-(5-chloro-2-phenylmethoxyphenyl)phenyl]benzoic acid (CID 44581620) is 2-[2-(5-chloro-2-phenylmethoxyphenyl)phenyl]benzoic acid.
What is the SMILES notation for 2-[2-(5-chloro-2-phenylmethoxyphenyl)phenyl]benzoic acid?
The canonical SMILES for 2-[2-(5-chloro-2-phenylmethoxyphenyl)phenyl]benzoic acid is O=C(O)c1ccccc1-c1ccccc1-c1cc(Cl)ccc1OCc1ccccc1.
What is the InChIKey of 2-[2-(5-chloro-2-phenylmethoxyphenyl)phenyl]benzoic acid?
The InChIKey is QZESGEXIOWAAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClO3/c27-19-14-15-25(30-17-18-8-2-1-3-9-18)24(16-19)22-12-5-4-10-20(22)21-11-6-7-13-23(21)26(28)29/h1-16H,17H2,(H,28,29).
What are the key properties of 2-[2-(5-chloro-2-phenylmethoxyphenyl)phenyl]benzoic acid?
2-[2-(5-chloro-2-phenylmethoxyphenyl)phenyl]benzoic acid has a molecular weight of 414.89 g/mol, XLogP of 6.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-chloro-2-phenylmethoxyphenyl)phenyl]benzoic acid is sourced from PubChem (CID 44581620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).