[2-hydroxy-4-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]oxaborolan-4-yl]methanol

C19H24BNO5 — CID 150653463

IUPAC[2-hydroxy-4-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]oxaborolan-4-yl]methanol
SMILESCCCOc1cc(-c2cncc(C3(CO)COB(O)C3)c2)ccc1OC
InChIInChI=1S/C19H24BNO5/c1-3-6-25-18-8-14(4-5-17(18)24-2)15-7-16(10-21-9-15)19(12-22)11-20(23)26-13-19/h4-5,7-10,22-23H,3,6,11-13H2,1-2H3
InChIKeyJCJGHSYCTPYSPL-UHFFFAOYSA-N
MW357.22 g/mol
LogP2.29
Rot. Bonds7

About [2-hydroxy-4-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]oxaborolan-4-yl]methanol

[2-hydroxy-4-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]oxaborolan-4-yl]methanol (PubChem CID 150653463) has the molecular formula C19H24BNO5 and a molecular weight of 357.22 g/mol. Its IUPAC name is [2-hydroxy-4-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]oxaborolan-4-yl]methanol.

Molecular Properties

Compound Name[2-hydroxy-4-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]oxaborolan-4-yl]methanol
PubChem CID150653463
Molecular FormulaC19H24BNO5
Molecular Weight357.22 g/mol
Exact Mass357.17
IUPAC Name[2-hydroxy-4-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]oxaborolan-4-yl]methanol
SMILESCCCOc1cc(-c2cncc(C3(CO)COB(O)C3)c2)ccc1OC
InChIInChI=1S/C19H24BNO5/c1-3-6-25-18-8-14(4-5-17(18)24-2)15-7-16(10-21-9-15)19(12-22)11-20(23)26-13-19/h4-5,7-10,22-23H,3,6,11-13H2,1-2H3
InChIKeyJCJGHSYCTPYSPL-UHFFFAOYSA-N
XLogP2.29
TPSA81.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.22
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [2-hydroxy-4-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]oxaborolan-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-4-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]oxaborolan-4-yl]methanol?
The IUPAC name of [2-hydroxy-4-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]oxaborolan-4-yl]methanol (CID 150653463) is [2-hydroxy-4-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]oxaborolan-4-yl]methanol.
What is the SMILES notation for [2-hydroxy-4-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]oxaborolan-4-yl]methanol?
The canonical SMILES for [2-hydroxy-4-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]oxaborolan-4-yl]methanol is CCCOc1cc(-c2cncc(C3(CO)COB(O)C3)c2)ccc1OC.
What is the InChIKey of [2-hydroxy-4-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]oxaborolan-4-yl]methanol?
The InChIKey is JCJGHSYCTPYSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BNO5/c1-3-6-25-18-8-14(4-5-17(18)24-2)15-7-16(10-21-9-15)19(12-22)11-20(23)26-13-19/h4-5,7-10,22-23H,3,6,11-13H2,1-2H3.
What are the key properties of [2-hydroxy-4-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]oxaborolan-4-yl]methanol?
[2-hydroxy-4-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]oxaborolan-4-yl]methanol has a molecular weight of 357.22 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-4-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]oxaborolan-4-yl]methanol is sourced from PubChem (CID 150653463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).