2-hydroxy-4-(3-phenyl-3-pyridin-3-ylprop-2-enoxy)benzoic acid

C21H17NO4 — CID 71325558

IUPAC2-hydroxy-4-(3-phenyl-3-pyridin-3-ylprop-2-enoxy)benzoic acid
SMILESO=C(O)c1ccc(OCC=C(c2ccccc2)c2cccnc2)cc1O
InChIInChI=1S/C21H17NO4/c23-20-13-17(8-9-19(20)21(24)25)26-12-10-18(15-5-2-1-3-6-15)16-7-4-11-22-14-16/h1-11,13-14,23H,12H2,(H,24,25)
InChIKeyWGCCWPQQQSXVTO-UHFFFAOYSA-N
MW347.37 g/mol
LogP4.00
Rot. Bonds6

About 2-hydroxy-4-(3-phenyl-3-pyridin-3-ylprop-2-enoxy)benzoic acid

2-hydroxy-4-(3-phenyl-3-pyridin-3-ylprop-2-enoxy)benzoic acid (PubChem CID 71325558) has the molecular formula C21H17NO4 and a molecular weight of 347.37 g/mol. Its IUPAC name is 2-hydroxy-4-(3-phenyl-3-pyridin-3-ylprop-2-enoxy)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-(3-phenyl-3-pyridin-3-ylprop-2-enoxy)benzoic acid
PubChem CID71325558
Molecular FormulaC21H17NO4
Molecular Weight347.37 g/mol
Exact Mass347.12
IUPAC Name2-hydroxy-4-(3-phenyl-3-pyridin-3-ylprop-2-enoxy)benzoic acid
SMILESO=C(O)c1ccc(OCC=C(c2ccccc2)c2cccnc2)cc1O
InChIInChI=1S/C21H17NO4/c23-20-13-17(8-9-19(20)21(24)25)26-12-10-18(15-5-2-1-3-6-15)16-7-4-11-22-14-16/h1-11,13-14,23H,12H2,(H,24,25)
InChIKeyWGCCWPQQQSXVTO-UHFFFAOYSA-N
XLogP4.00
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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4-[3-(4-carboxy-3-hydroxyphenoxy)propoxy]-2-hydroxybenzoic acid
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2-hydroxybenzaldehyde;pyridine-3-carboxylic acid
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CID 13417329
(E)-12-phenyl-12-pyridin-3-yldodec-11-enoic acid
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carbanide;(4-ethoxy-2-hydroxyphenyl)-phenylmethanone;yttrium
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4-[(2-fluorophenyl)methoxy]-2-hydroxybenzoic acid
CID 91682681
4-[(2-chlorophenyl)methoxy]-2-hydroxybenzoic acid
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2-(pyridin-3-yloxymethyl)pyridine-3,5-dicarboxylic acid;hydrochloride
CID 70438795

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-(3-phenyl-3-pyridin-3-ylprop-2-enoxy)benzoic acid?
The IUPAC name of 2-hydroxy-4-(3-phenyl-3-pyridin-3-ylprop-2-enoxy)benzoic acid (CID 71325558) is 2-hydroxy-4-(3-phenyl-3-pyridin-3-ylprop-2-enoxy)benzoic acid.
What is the SMILES notation for 2-hydroxy-4-(3-phenyl-3-pyridin-3-ylprop-2-enoxy)benzoic acid?
The canonical SMILES for 2-hydroxy-4-(3-phenyl-3-pyridin-3-ylprop-2-enoxy)benzoic acid is O=C(O)c1ccc(OCC=C(c2ccccc2)c2cccnc2)cc1O.
What is the InChIKey of 2-hydroxy-4-(3-phenyl-3-pyridin-3-ylprop-2-enoxy)benzoic acid?
The InChIKey is WGCCWPQQQSXVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO4/c23-20-13-17(8-9-19(20)21(24)25)26-12-10-18(15-5-2-1-3-6-15)16-7-4-11-22-14-16/h1-11,13-14,23H,12H2,(H,24,25).
What are the key properties of 2-hydroxy-4-(3-phenyl-3-pyridin-3-ylprop-2-enoxy)benzoic acid?
2-hydroxy-4-(3-phenyl-3-pyridin-3-ylprop-2-enoxy)benzoic acid has a molecular weight of 347.37 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-(3-phenyl-3-pyridin-3-ylprop-2-enoxy)benzoic acid is sourced from PubChem (CID 71325558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).