[3-(pyridin-3-ylmethoxy)phenyl] benzoate

C19H15NO3 — CID 11460927

IUPAC[3-(pyridin-3-ylmethoxy)phenyl] benzoate
SMILESO=C(Oc1cccc(OCc2cccnc2)c1)c1ccccc1
InChIInChI=1S/C19H15NO3/c21-19(16-7-2-1-3-8-16)23-18-10-4-9-17(12-18)22-14-15-6-5-11-20-13-15/h1-13H,14H2
InChIKeyGIQRGKIPLXCBOY-UHFFFAOYSA-N
MW305.33 g/mol
LogP3.88
Rot. Bonds5

About [3-(pyridin-3-ylmethoxy)phenyl] benzoate

[3-(pyridin-3-ylmethoxy)phenyl] benzoate (PubChem CID 11460927) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is [3-(pyridin-3-ylmethoxy)phenyl] benzoate.

Molecular Properties

Compound Name[3-(pyridin-3-ylmethoxy)phenyl] benzoate
PubChem CID11460927
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name[3-(pyridin-3-ylmethoxy)phenyl] benzoate
SMILESO=C(Oc1cccc(OCc2cccnc2)c1)c1ccccc1
InChIInChI=1S/C19H15NO3/c21-19(16-7-2-1-3-8-16)23-18-10-4-9-17(12-18)22-14-15-6-5-11-20-13-15/h1-13H,14H2
InChIKeyGIQRGKIPLXCBOY-UHFFFAOYSA-N
XLogP3.88
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(pyridin-3-ylmethoxy)phenyl]ethanone
CID 24704115
3-(phenoxymethyl)pyridine;hydrochloride
CID 157085776
5-[3-(pyridin-3-ylmethoxy)phenyl]pentanoic acid
CID 139922006
N-methylsulfonyl-3-(pyridin-3-ylmethoxy)benzamide
CID 146154896
N'-(4-bromobenzoyl)-3-(pyridin-3-ylmethoxy)benzohydrazide
CID 78888043
(2S)-4-phenyl-2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]butanoic acid
CID 146099236
N-(6-phenylmethoxy-3-pyridinyl)-3-(pyridin-3-ylmethoxy)benzamide
CID 55880084
[3-(3-benzoyloxyphenoxy)carbonyloxyphenyl] benzoate
CID 22982979
[3-(pyridine-4-carbonyloxy)phenyl] pyridine-4-carboxylate
CID 4582342
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542
3-phenyl-2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]butanoic acid
CID 146099183
1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidine-4-carboxylic acid
CID 119349727

Frequently Asked Questions

What is the IUPAC name of [3-(pyridin-3-ylmethoxy)phenyl] benzoate?
The IUPAC name of [3-(pyridin-3-ylmethoxy)phenyl] benzoate (CID 11460927) is [3-(pyridin-3-ylmethoxy)phenyl] benzoate.
What is the SMILES notation for [3-(pyridin-3-ylmethoxy)phenyl] benzoate?
The canonical SMILES for [3-(pyridin-3-ylmethoxy)phenyl] benzoate is O=C(Oc1cccc(OCc2cccnc2)c1)c1ccccc1.
What is the InChIKey of [3-(pyridin-3-ylmethoxy)phenyl] benzoate?
The InChIKey is GIQRGKIPLXCBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3/c21-19(16-7-2-1-3-8-16)23-18-10-4-9-17(12-18)22-14-15-6-5-11-20-13-15/h1-13H,14H2.
What are the key properties of [3-(pyridin-3-ylmethoxy)phenyl] benzoate?
[3-(pyridin-3-ylmethoxy)phenyl] benzoate has a molecular weight of 305.33 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(pyridin-3-ylmethoxy)phenyl] benzoate is sourced from PubChem (CID 11460927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).