4-[2-(2-phenylmethoxy-3-pyridinyl)ethyl]benzoic acid

C21H19NO3 — CID 18973964

IUPAC4-[2-(2-phenylmethoxy-3-pyridinyl)ethyl]benzoic acid
SMILESO=C(O)c1ccc(CCc2cccnc2OCc2ccccc2)cc1
InChIInChI=1S/C21H19NO3/c23-21(24)19-12-9-16(10-13-19)8-11-18-7-4-14-22-20(18)25-15-17-5-2-1-3-6-17/h1-7,9-10,12-14H,8,11,15H2,(H,23,24)
InChIKeyWLQSXVJVNRNOPA-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.14
Rot. Bonds7

About 4-[2-(2-phenylmethoxy-3-pyridinyl)ethyl]benzoic acid

4-[2-(2-phenylmethoxy-3-pyridinyl)ethyl]benzoic acid (PubChem CID 18973964) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 4-[2-(2-phenylmethoxy-3-pyridinyl)ethyl]benzoic acid.

Molecular Properties

Compound Name4-[2-(2-phenylmethoxy-3-pyridinyl)ethyl]benzoic acid
PubChem CID18973964
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC Name4-[2-(2-phenylmethoxy-3-pyridinyl)ethyl]benzoic acid
SMILESO=C(O)c1ccc(CCc2cccnc2OCc2ccccc2)cc1
InChIInChI=1S/C21H19NO3/c23-21(24)19-12-9-16(10-13-19)8-11-18-7-4-14-22-20(18)25-15-17-5-2-1-3-6-17/h1-7,9-10,12-14H,8,11,15H2,(H,23,24)
InChIKeyWLQSXVJVNRNOPA-UHFFFAOYSA-N
XLogP4.14
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2-phenylmethoxy-3-pyridinyl)ethyl]-N-(pyridin-2-ylmethyl)benzamide
CID 18973973
(2-phenylmethoxy-3-pyridinyl)methanol
CID 59210835
4-(pyridin-2-yloxymethyl)benzoic acid
CID 21105508
4-[2-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]ethyl]benzoic acid
CID 123174913
4-phenylmethoxybenzoic acid
CID 68896574
4-(2-phenylethoxymethyl)benzoic acid
CID 28994595
2-chloro-2-fluoro-N-[(2-phenylmethoxy-3-pyridinyl)methyl]acetamide
CID 167961837
N,N-dimethyl-4-[[[N'-methyl-N-[(2-phenylmethoxy-3-pyridinyl)methyl]carbamimidoyl]amino]methyl]benzamide
CID 111872927
3-tert-butyl-2-phenylmethoxypyridine
CID 157173376
4-(pyridin-2-ylmethoxymethyl)benzoic acid
CID 83213493
4-[2-(2-phenoxyphenyl)ethyl]benzoic acid
CID 22400838
N-[(2-phenylmethoxy-3-pyridinyl)methyl]furan-3-carboxamide
CID 47042526

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-phenylmethoxy-3-pyridinyl)ethyl]benzoic acid?
The IUPAC name of 4-[2-(2-phenylmethoxy-3-pyridinyl)ethyl]benzoic acid (CID 18973964) is 4-[2-(2-phenylmethoxy-3-pyridinyl)ethyl]benzoic acid.
What is the SMILES notation for 4-[2-(2-phenylmethoxy-3-pyridinyl)ethyl]benzoic acid?
The canonical SMILES for 4-[2-(2-phenylmethoxy-3-pyridinyl)ethyl]benzoic acid is O=C(O)c1ccc(CCc2cccnc2OCc2ccccc2)cc1.
What is the InChIKey of 4-[2-(2-phenylmethoxy-3-pyridinyl)ethyl]benzoic acid?
The InChIKey is WLQSXVJVNRNOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3/c23-21(24)19-12-9-16(10-13-19)8-11-18-7-4-14-22-20(18)25-15-17-5-2-1-3-6-17/h1-7,9-10,12-14H,8,11,15H2,(H,23,24).
What are the key properties of 4-[2-(2-phenylmethoxy-3-pyridinyl)ethyl]benzoic acid?
4-[2-(2-phenylmethoxy-3-pyridinyl)ethyl]benzoic acid has a molecular weight of 333.39 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-phenylmethoxy-3-pyridinyl)ethyl]benzoic acid is sourced from PubChem (CID 18973964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).