acetylene;2-phenylbenzoic acid

C15H12O2 — CID 67726329

IUPACacetylene;2-phenylbenzoic acid
SMILESC#C.O=C(O)c1ccccc1-c1ccccc1
InChIInChI=1S/C13H10O2.C2H2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-2/h1-9H,(H,14,15);1-2H
InChIKeyDIYSDDAJLVKECE-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.30
Rot. Bonds2

About acetylene;2-phenylbenzoic acid

acetylene;2-phenylbenzoic acid (PubChem CID 67726329) has the molecular formula C15H12O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is acetylene;2-phenylbenzoic acid.

Molecular Properties

Compound Nameacetylene;2-phenylbenzoic acid
PubChem CID67726329
Molecular FormulaC15H12O2
Molecular Weight224.26 g/mol
Exact Mass224.08
IUPAC Nameacetylene;2-phenylbenzoic acid
SMILESC#C.O=C(O)c1ccccc1-c1ccccc1
InChIInChI=1S/C13H10O2.C2H2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-2/h1-9H,(H,14,15);1-2H
InChIKeyDIYSDDAJLVKECE-UHFFFAOYSA-N
XLogP3.30
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze acetylene;2-phenylbenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(2-phenylphenyl)phenyl]benzoic acid
CID 141238749
2-[3,5-bis(2-carboxyphenyl)phenyl]benzoic acid
CID 21428532
benzoic acid;ethane;bis(2-phenylbenzoic acid)
CID 158851382
2-(4-phosphanylphenyl)benzoic acid
CID 58612433
5-deuterio-2-phenylbenzoic acid
CID 101387079
2-(2-carboxyphenyl)benzoic acid;cobalt
CID 159898458
5-(2-carboxyphenyl)benzene-1,3-dicarboxylic acid
CID 53218447
3-phenylphthalic acid;dihydrobromide
CID 67683459
2-hydroxy-3-phenylbenzoic acid;hydrate
CID 141168272
2-(4-cyanophenyl)benzoic acid
CID 2757952
2-hydroxy-3-(2-phenylphenyl)benzoic acid
CID 67822406
2-[3,4-bis(2-carboxyphenyl)phenyl]benzoic acid
CID 154122846

Frequently Asked Questions

What is the IUPAC name of acetylene;2-phenylbenzoic acid?
The IUPAC name of acetylene;2-phenylbenzoic acid (CID 67726329) is acetylene;2-phenylbenzoic acid.
What is the SMILES notation for acetylene;2-phenylbenzoic acid?
The canonical SMILES for acetylene;2-phenylbenzoic acid is C#C.O=C(O)c1ccccc1-c1ccccc1.
What is the InChIKey of acetylene;2-phenylbenzoic acid?
The InChIKey is DIYSDDAJLVKECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O2.C2H2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-2/h1-9H,(H,14,15);1-2H.
What are the key properties of acetylene;2-phenylbenzoic acid?
acetylene;2-phenylbenzoic acid has a molecular weight of 224.26 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;2-phenylbenzoic acid is sourced from PubChem (CID 67726329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).