1,1'-biphenyl;2-hydroxyprop-2-enoic acid

C15H14O3 — CID 175089915

IUPAC1,1'-biphenyl;2-hydroxyprop-2-enoic acid
SMILESC=C(O)C(=O)O.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C3H4O3/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2(4)3(5)6/h1-10H;4H,1H2,(H,5,6)
InChIKeyFOCZOAADBUVONF-UHFFFAOYSA-N
MW242.27 g/mol
LogP3.50
Rot. Bonds2

About 1,1'-biphenyl;2-hydroxyprop-2-enoic acid

1,1'-biphenyl;2-hydroxyprop-2-enoic acid (PubChem CID 175089915) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 1,1'-biphenyl;2-hydroxyprop-2-enoic acid.

Molecular Properties

Compound Name1,1'-biphenyl;2-hydroxyprop-2-enoic acid
PubChem CID175089915
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name1,1'-biphenyl;2-hydroxyprop-2-enoic acid
SMILESC=C(O)C(=O)O.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C3H4O3/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2(4)3(5)6/h1-10H;4H,1H2,(H,5,6)
InChIKeyFOCZOAADBUVONF-UHFFFAOYSA-N
XLogP3.50
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

bis(1,1'-biphenyl);carbonate
CID 23514328
2-hydroxyprop-2-enoic acid;styrene
CID 67611169
benzene;tris(1,1'-biphenyl)
CID 162155747
acetic acid;1,1'-biphenyl;zinc
CID 70522083
acetic acid;1,1'-biphenyl;ethane
CID 91464981
1,1'-biphenyl;oxaldehydic acid
CID 23024065
bicyclo[2.2.0]hexa-1,3,5-triene;oxalic acid
CID 174547158
2-(4-phenylphenyl)prop-2-enoyl chloride
CID 87645209
CID 53446764
CID 53446764
bis(1,1'-biphenyl);sulfane
CID 22247507
1,1'-biphenyl;mercury
CID 67099988
1,1'-biphenyl;hydrofluoride
CID 67516975

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;2-hydroxyprop-2-enoic acid?
The IUPAC name of 1,1'-biphenyl;2-hydroxyprop-2-enoic acid (CID 175089915) is 1,1'-biphenyl;2-hydroxyprop-2-enoic acid.
What is the SMILES notation for 1,1'-biphenyl;2-hydroxyprop-2-enoic acid?
The canonical SMILES for 1,1'-biphenyl;2-hydroxyprop-2-enoic acid is C=C(O)C(=O)O.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;2-hydroxyprop-2-enoic acid?
The InChIKey is FOCZOAADBUVONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C3H4O3/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2(4)3(5)6/h1-10H;4H,1H2,(H,5,6).
What are the key properties of 1,1'-biphenyl;2-hydroxyprop-2-enoic acid?
1,1'-biphenyl;2-hydroxyprop-2-enoic acid has a molecular weight of 242.27 g/mol, XLogP of 3.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;2-hydroxyprop-2-enoic acid is sourced from PubChem (CID 175089915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).