5-deuterio-2-phenylbenzoic acid

C13H10O2 — CID 101387079

IUPAC5-deuterio-2-phenylbenzoic acid
SMILES[2H]c1ccc(-c2ccccc2)c(C(=O)O)c1
InChIInChI=1S/C13H10O2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,(H,14,15)/i5D
InChIKeyILYSAKHOYBPSPC-UICOGKGYSA-N
MW199.23 g/mol
LogP3.05
Rot. Bonds2

About 5-deuterio-2-phenylbenzoic acid

5-deuterio-2-phenylbenzoic acid (PubChem CID 101387079) has the molecular formula C13H10O2 and a molecular weight of 199.23 g/mol. Its IUPAC name is 5-deuterio-2-phenylbenzoic acid.

Molecular Properties

Compound Name5-deuterio-2-phenylbenzoic acid
PubChem CID101387079
Molecular FormulaC13H10O2
Molecular Weight199.23 g/mol
Exact Mass199.07
IUPAC Name5-deuterio-2-phenylbenzoic acid
SMILES[2H]c1ccc(-c2ccccc2)c(C(=O)O)c1
InChIInChI=1S/C13H10O2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,(H,14,15)/i5D
InChIKeyILYSAKHOYBPSPC-UICOGKGYSA-N
XLogP3.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

acetylene;2-phenylbenzoic acid
CID 67726329
2-[2-(2-phenylphenyl)phenyl]benzoic acid
CID 141238749
benzoic acid;ethane;bis(2-phenylbenzoic acid)
CID 158851382
2-[3,5-bis(2-carboxyphenyl)phenyl]benzoic acid
CID 21428532
2-(4-phosphanylphenyl)benzoic acid
CID 58612433
2-(2-carboxyphenyl)benzoic acid;cobalt
CID 159898458
2-(2-phenylphenyl)terephthalic acid
CID 67851740
2-(4-cyanophenyl)benzoic acid
CID 2757952
2-hydroxy-3-phenylbenzoic acid;hydrate
CID 141168272
3-phenylphthalic acid;dihydrobromide
CID 67683459
5-(2-carboxyphenyl)benzene-1,3-dicarboxylic acid
CID 53218447
4-(2-carboxyphenyl)-2-(4-carboxyphenyl)benzoic acid
CID 102275934

Frequently Asked Questions

What is the IUPAC name of 5-deuterio-2-phenylbenzoic acid?
The IUPAC name of 5-deuterio-2-phenylbenzoic acid (CID 101387079) is 5-deuterio-2-phenylbenzoic acid.
What is the SMILES notation for 5-deuterio-2-phenylbenzoic acid?
The canonical SMILES for 5-deuterio-2-phenylbenzoic acid is [2H]c1ccc(-c2ccccc2)c(C(=O)O)c1.
What is the InChIKey of 5-deuterio-2-phenylbenzoic acid?
The InChIKey is ILYSAKHOYBPSPC-UICOGKGYSA-N. The full InChI is InChI=1S/C13H10O2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,(H,14,15)/i5D.
What are the key properties of 5-deuterio-2-phenylbenzoic acid?
5-deuterio-2-phenylbenzoic acid has a molecular weight of 199.23 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-deuterio-2-phenylbenzoic acid is sourced from PubChem (CID 101387079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).