[3-[phenyl(pyridin-2-ylmethoxy)boranyl]phenyl]methanol

Name: [3-[phenyl(pyridin-2-ylmethoxy)boranyl]phenyl]methanol — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₉H₁₈BNO₂ — CID 59273420

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC[3-[phenyl(pyridin-2-ylmethoxy)boranyl]phenyl]methanol

SMILESOCc1cccc(B(OCc2ccccn2)c2ccccc2)c1

InChIInChI=1S/C19H18BNO2/c22-14-16-7-6-10-18(13-16)20(17-8-2-1-3-9-17)23-15-19-11-4-5-12-21-19/h1-13,22H,14-15H2

InChIKeyWJWOXWZCSNNEFM-UHFFFAOYSA-N

MW303.17 g/mol

LogP1.90

Rot. Bonds6

About [3-[phenyl(pyridin-2-ylmethoxy)boranyl]phenyl]methanol

[3-[phenyl(pyridin-2-ylmethoxy)boranyl]phenyl]methanol (PubChem CID 59273420) has the molecular formula C₁₉H₁₈BNO₂ and a molecular weight of 303.17 g/mol. Its IUPAC name is [3-[phenyl(pyridin-2-ylmethoxy)boranyl]phenyl]methanol.

Molecular Properties

Compound Name	[3-[phenyl(pyridin-2-ylmethoxy)boranyl]phenyl]methanol
PubChem CID	59273420
Molecular Formula	C₁₉H₁₈BNO₂
Molecular Weight	303.17 g/mol
Exact Mass	303.14
IUPAC Name	[3-[phenyl(pyridin-2-ylmethoxy)boranyl]phenyl]methanol
SMILES	OCc1cccc(B(OCc2ccccn2)c2ccccc2)c1
InChI	InChI=1S/C19H18BNO2/c22-14-16-7-6-10-18(13-16)20(17-8-2-1-3-9-17)23-15-19-11-4-5-12-21-19/h1-13,22H,14-15H2
InChIKey	WJWOXWZCSNNEFM-UHFFFAOYSA-N
XLogP	1.90
TPSA	42.35 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	6
Heavy Atoms	23
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	303.17
LogP ≤ 5	1.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-[phenyl(pyridin-2-ylmethoxy)boranyl]phenyl]methanol?

The IUPAC name of [3-[phenyl(pyridin-2-ylmethoxy)boranyl]phenyl]methanol (CID 59273420) is [3-[phenyl(pyridin-2-ylmethoxy)boranyl]phenyl]methanol.

What is the SMILES notation for [3-[phenyl(pyridin-2-ylmethoxy)boranyl]phenyl]methanol?

The canonical SMILES for [3-[phenyl(pyridin-2-ylmethoxy)boranyl]phenyl]methanol is OCc1cccc(B(OCc2ccccn2)c2ccccc2)c1.

What is the InChIKey of [3-[phenyl(pyridin-2-ylmethoxy)boranyl]phenyl]methanol?

The InChIKey is WJWOXWZCSNNEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BNO2/c22-14-16-7-6-10-18(13-16)20(17-8-2-1-3-9-17)23-15-19-11-4-5-12-21-19/h1-13,22H,14-15H2.

What are the key properties of [3-[phenyl(pyridin-2-ylmethoxy)boranyl]phenyl]methanol?

[3-[phenyl(pyridin-2-ylmethoxy)boranyl]phenyl]methanol has a molecular weight of 303.17 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[phenyl(pyridin-2-ylmethoxy)boranyl]phenyl]methanol is sourced from PubChem (CID 59273420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 59273420 — identifiers, structure, computed properties (public domain)

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