2-[2-(2-phenylphenyl)phenyl]benzoic acid

C25H18O2 — CID 141238749

IUPAC2-[2-(2-phenylphenyl)phenyl]benzoic acid
SMILESO=C(O)c1ccccc1-c1ccccc1-c1ccccc1-c1ccccc1
InChIInChI=1S/C25H18O2/c26-25(27)24-17-9-8-16-23(24)22-15-7-6-14-21(22)20-13-5-4-12-19(20)18-10-2-1-3-11-18/h1-17H,(H,26,27)
InChIKeyBYEKKYSAUYJKBE-UHFFFAOYSA-N
MW350.42 g/mol
LogP6.39
Rot. Bonds4

About 2-[2-(2-phenylphenyl)phenyl]benzoic acid

2-[2-(2-phenylphenyl)phenyl]benzoic acid (PubChem CID 141238749) has the molecular formula C25H18O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[2-(2-phenylphenyl)phenyl]benzoic acid.

Molecular Properties

Compound Name2-[2-(2-phenylphenyl)phenyl]benzoic acid
PubChem CID141238749
Molecular FormulaC25H18O2
Molecular Weight350.42 g/mol
Exact Mass350.13
IUPAC Name2-[2-(2-phenylphenyl)phenyl]benzoic acid
SMILESO=C(O)c1ccccc1-c1ccccc1-c1ccccc1-c1ccccc1
InChIInChI=1S/C25H18O2/c26-25(27)24-17-9-8-16-23(24)22-15-7-6-14-21(22)20-13-5-4-12-19(20)18-10-2-1-3-11-18/h1-17H,(H,26,27)
InChIKeyBYEKKYSAUYJKBE-UHFFFAOYSA-N
XLogP6.39
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.42
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

acetylene;2-phenylbenzoic acid
CID 67726329
2-(2-carboxyphenyl)benzoic acid;cobalt
CID 159898458
2-hydroxy-3-(2-phenylphenyl)benzoic acid
CID 67822406
2-(2-phenylphenyl)terephthalic acid
CID 67851740
phenyl-[2-(2-phenylphenyl)phenyl]methanone;sulfane
CID 174608573
2-[3,4-bis(2-carboxyphenyl)phenyl]benzoic acid
CID 154122846
benzoic acid;ethane;bis(2-phenylbenzoic acid)
CID 158851382
N-hydroxy-2-(2-phenylphenyl)benzamide
CID 58121046
2-[3,5-bis(2-carboxyphenyl)phenyl]benzoic acid
CID 21428532
2,5-bis(2-carboxyphenyl)terephthalic acid
CID 15619214
2-[2-(2-carboxyphenyl)-4-chlorophenyl]benzoic acid
CID 90412939
5-deuterio-2-phenylbenzoic acid
CID 101387079

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-phenylphenyl)phenyl]benzoic acid?
The IUPAC name of 2-[2-(2-phenylphenyl)phenyl]benzoic acid (CID 141238749) is 2-[2-(2-phenylphenyl)phenyl]benzoic acid.
What is the SMILES notation for 2-[2-(2-phenylphenyl)phenyl]benzoic acid?
The canonical SMILES for 2-[2-(2-phenylphenyl)phenyl]benzoic acid is O=C(O)c1ccccc1-c1ccccc1-c1ccccc1-c1ccccc1.
What is the InChIKey of 2-[2-(2-phenylphenyl)phenyl]benzoic acid?
The InChIKey is BYEKKYSAUYJKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18O2/c26-25(27)24-17-9-8-16-23(24)22-15-7-6-14-21(22)20-13-5-4-12-19(20)18-10-2-1-3-11-18/h1-17H,(H,26,27).
What are the key properties of 2-[2-(2-phenylphenyl)phenyl]benzoic acid?
2-[2-(2-phenylphenyl)phenyl]benzoic acid has a molecular weight of 350.42 g/mol, XLogP of 6.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-phenylphenyl)phenyl]benzoic acid is sourced from PubChem (CID 141238749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).