2-phenylmethoxy-4-pyridin-3-ylbenzoic acid

C19H15NO3 — CID 66989978

IUPAC2-phenylmethoxy-4-pyridin-3-ylbenzoic acid
SMILESO=C(O)c1ccc(-c2cccnc2)cc1OCc1ccccc1
InChIInChI=1S/C19H15NO3/c21-19(22)17-9-8-15(16-7-4-10-20-12-16)11-18(17)23-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,21,22)
InChIKeyKBQOXBBCRYLIDJ-UHFFFAOYSA-N
MW305.33 g/mol
LogP4.03
Rot. Bonds5

About 2-phenylmethoxy-4-pyridin-3-ylbenzoic acid

2-phenylmethoxy-4-pyridin-3-ylbenzoic acid (PubChem CID 66989978) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is 2-phenylmethoxy-4-pyridin-3-ylbenzoic acid.

Molecular Properties

Compound Name2-phenylmethoxy-4-pyridin-3-ylbenzoic acid
PubChem CID66989978
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name2-phenylmethoxy-4-pyridin-3-ylbenzoic acid
SMILESO=C(O)c1ccc(-c2cccnc2)cc1OCc1ccccc1
InChIInChI=1S/C19H15NO3/c21-19(22)17-9-8-15(16-7-4-10-20-12-16)11-18(17)23-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,21,22)
InChIKeyKBQOXBBCRYLIDJ-UHFFFAOYSA-N
XLogP4.03
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-phenylmethoxy-4-pyridin-3-ylbenzoic 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-ethoxy-4-pyridin-3-ylbenzamide
CID 155568101
2-phenylmethoxy-N,4-dipyridin-4-ylbenzamide
CID 135143390
2-fluoro-4-(3-fluoro-4-phenylmethoxyphenyl)benzoic acid
CID 72704684
4-methyl-3-phenylmethoxy-5-pyridin-3-ylpyridine
CID 175581548
2-phenylmethoxy-4-(1H-pyrazol-4-yl)benzamide
CID 68761090
2-acetyloxy-5-pyridin-3-ylbenzoic acid
CID 66990214
4-(3-phenylmethoxyphenyl)pyridine-3-carboxylic acid
CID 53229665
4-amino-2-(2-pyridin-3-ylethoxy)benzoic acid
CID 106954787
5-(4-fluorophenyl)-2-phenylmethoxybenzoic acid
CID 154202317
4-cyclopropyl-2-phenylmethoxybenzoic acid
CID 162369981
methyl 2-phenyl-4-(pyridin-3-ylmethoxy)benzoate
CID 10805572
2-phenyl-3-phenylmethoxybenzoic acid
CID 174811177

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-4-pyridin-3-ylbenzoic acid?
The IUPAC name of 2-phenylmethoxy-4-pyridin-3-ylbenzoic acid (CID 66989978) is 2-phenylmethoxy-4-pyridin-3-ylbenzoic acid.
What is the SMILES notation for 2-phenylmethoxy-4-pyridin-3-ylbenzoic acid?
The canonical SMILES for 2-phenylmethoxy-4-pyridin-3-ylbenzoic acid is O=C(O)c1ccc(-c2cccnc2)cc1OCc1ccccc1.
What is the InChIKey of 2-phenylmethoxy-4-pyridin-3-ylbenzoic acid?
The InChIKey is KBQOXBBCRYLIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3/c21-19(22)17-9-8-15(16-7-4-10-20-12-16)11-18(17)23-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,21,22).
What are the key properties of 2-phenylmethoxy-4-pyridin-3-ylbenzoic acid?
2-phenylmethoxy-4-pyridin-3-ylbenzoic acid has a molecular weight of 305.33 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-4-pyridin-3-ylbenzoic acid is sourced from PubChem (CID 66989978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).