bis(1,1'-biphenyl);2-(2-phenylphenyl)propanoic acid

C39H34O2 — CID 70214547

IUPACbis(1,1'-biphenyl);2-(2-phenylphenyl)propanoic acid
SMILESCC(C(=O)O)c1ccccc1-c1ccccc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H14O2.2C12H10/c1-11(15(16)17)13-9-5-6-10-14(13)12-7-3-2-4-8-12;2*1-3-7-11(8-4-1)12-9-5-2-6-10-12/h2-11H,1H3,(H,16,17);2*1-10H
InChIKeyVCPKQFMIXNCZEO-UHFFFAOYSA-N
MW534.70 g/mol
LogP10.25
Rot. Bonds5

About bis(1,1'-biphenyl);2-(2-phenylphenyl)propanoic acid

bis(1,1'-biphenyl);2-(2-phenylphenyl)propanoic acid (PubChem CID 70214547) has the molecular formula C39H34O2 and a molecular weight of 534.70 g/mol. Its IUPAC name is bis(1,1'-biphenyl);2-(2-phenylphenyl)propanoic acid.

Molecular Properties

Compound Namebis(1,1'-biphenyl);2-(2-phenylphenyl)propanoic acid
PubChem CID70214547
Molecular FormulaC39H34O2
Molecular Weight534.70 g/mol
Exact Mass534.26
IUPAC Namebis(1,1'-biphenyl);2-(2-phenylphenyl)propanoic acid
SMILESCC(C(=O)O)c1ccccc1-c1ccccc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H14O2.2C12H10/c1-11(15(16)17)13-9-5-6-10-14(13)12-7-3-2-4-8-12;2*1-3-7-11(8-4-1)12-9-5-2-6-10-12/h2-11H,1H3,(H,16,17);2*1-10H
InChIKeyVCPKQFMIXNCZEO-UHFFFAOYSA-N
XLogP10.25
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.70
LogP ≤ 510.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of bis(1,1'-biphenyl);2-(2-phenylphenyl)propanoic acid?
The IUPAC name of bis(1,1'-biphenyl);2-(2-phenylphenyl)propanoic acid (CID 70214547) is bis(1,1'-biphenyl);2-(2-phenylphenyl)propanoic acid.
What is the SMILES notation for bis(1,1'-biphenyl);2-(2-phenylphenyl)propanoic acid?
The canonical SMILES for bis(1,1'-biphenyl);2-(2-phenylphenyl)propanoic acid is CC(C(=O)O)c1ccccc1-c1ccccc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of bis(1,1'-biphenyl);2-(2-phenylphenyl)propanoic acid?
The InChIKey is VCPKQFMIXNCZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2.2C12H10/c1-11(15(16)17)13-9-5-6-10-14(13)12-7-3-2-4-8-12;2*1-3-7-11(8-4-1)12-9-5-2-6-10-12/h2-11H,1H3,(H,16,17);2*1-10H.
What are the key properties of bis(1,1'-biphenyl);2-(2-phenylphenyl)propanoic acid?
bis(1,1'-biphenyl);2-(2-phenylphenyl)propanoic acid has a molecular weight of 534.70 g/mol, XLogP of 10.25, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,1'-biphenyl);2-(2-phenylphenyl)propanoic acid is sourced from PubChem (CID 70214547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).