2-(2-phenylphenyl)terephthalic acid

C20H14O4 — CID 67851740

IUPAC2-(2-phenylphenyl)terephthalic acid
SMILESO=C(O)c1ccc(C(=O)O)c(-c2ccccc2-c2ccccc2)c1
InChIInChI=1S/C20H14O4/c21-19(22)14-10-11-17(20(23)24)18(12-14)16-9-5-4-8-15(16)13-6-2-1-3-7-13/h1-12H,(H,21,22)(H,23,24)
InChIKeySYQKXPAMDGDHRM-UHFFFAOYSA-N
MW318.33 g/mol
LogP4.42
Rot. Bonds4

About 2-(2-phenylphenyl)terephthalic acid

2-(2-phenylphenyl)terephthalic acid (PubChem CID 67851740) has the molecular formula C20H14O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is 2-(2-phenylphenyl)terephthalic acid.

Molecular Properties

Compound Name2-(2-phenylphenyl)terephthalic acid
PubChem CID67851740
Molecular FormulaC20H14O4
Molecular Weight318.33 g/mol
Exact Mass318.09
IUPAC Name2-(2-phenylphenyl)terephthalic acid
SMILESO=C(O)c1ccc(C(=O)O)c(-c2ccccc2-c2ccccc2)c1
InChIInChI=1S/C20H14O4/c21-19(22)14-10-11-17(20(23)24)18(12-14)16-9-5-4-8-15(16)13-6-2-1-3-7-13/h1-12H,(H,21,22)(H,23,24)
InChIKeySYQKXPAMDGDHRM-UHFFFAOYSA-N
XLogP4.42
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2-phenylphenyl)phenyl]benzoic acid
CID 141238749
6-(2-phenylphenyl)benzene-1,2,4-tricarboxylic acid
CID 139636462
4-acetyl-3-phenylbenzoic acid
CID 139966982
4-(2-carboxyphenyl)-2-(4-carboxyphenyl)benzoic acid
CID 102275934
2-[3-carboxy-2-(2,5-dicarboxyphenyl)phenyl]terephthalic acid
CID 174813174
biphenylene-2-carboxylic acid;hydrochloride
CID 70419826
2-[2-[2-(3-phenylphenyl)ethynyl]phenyl]terephthalic acid
CID 22140305
benzoic acid;ethane;bis(2-phenylbenzoic acid)
CID 158851382
4-chloro-2-phenylbenzoic acid
CID 11424784
4-[(2-phenylphenyl)carbamoyl]benzene-1,3-dicarboxylic acid
CID 16645441
zinc bis(4-carboxy-2-phenylbenzenethiolate)
CID 158764279
acetylene;2-phenylbenzoic acid
CID 67726329

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylphenyl)terephthalic acid?
The IUPAC name of 2-(2-phenylphenyl)terephthalic acid (CID 67851740) is 2-(2-phenylphenyl)terephthalic acid.
What is the SMILES notation for 2-(2-phenylphenyl)terephthalic acid?
The canonical SMILES for 2-(2-phenylphenyl)terephthalic acid is O=C(O)c1ccc(C(=O)O)c(-c2ccccc2-c2ccccc2)c1.
What is the InChIKey of 2-(2-phenylphenyl)terephthalic acid?
The InChIKey is SYQKXPAMDGDHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O4/c21-19(22)14-10-11-17(20(23)24)18(12-14)16-9-5-4-8-15(16)13-6-2-1-3-7-13/h1-12H,(H,21,22)(H,23,24).
What are the key properties of 2-(2-phenylphenyl)terephthalic acid?
2-(2-phenylphenyl)terephthalic acid has a molecular weight of 318.33 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylphenyl)terephthalic acid is sourced from PubChem (CID 67851740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).