[4-[(4R)-2-hydroxyoxaborolan-4-yl]-6-(4-methoxy-3-propoxyphenyl)-2-pyridinyl]methanol

C19H24BNO5 — CID 156778870

IUPAC[4-[(4R)-2-hydroxyoxaborolan-4-yl]-6-(4-methoxy-3-propoxyphenyl)-2-pyridinyl]methanol
SMILESCCCOc1cc(-c2cc([C@@H]3COB(O)C3)cc(CO)n2)ccc1OC
InChIInChI=1S/C19H24BNO5/c1-3-6-25-19-9-13(4-5-18(19)24-2)17-8-14(7-16(11-22)21-17)15-10-20(23)26-12-15/h4-5,7-9,15,22-23H,3,6,10-12H2,1-2H3/t15-/m0/s1
InChIKeyDVDIJPCBMWHUJB-HNNXBMFYSA-N
MW357.22 g/mol
LogP2.63
Rot. Bonds7

About [4-[(4R)-2-hydroxyoxaborolan-4-yl]-6-(4-methoxy-3-propoxyphenyl)-2-pyridinyl]methanol

[4-[(4R)-2-hydroxyoxaborolan-4-yl]-6-(4-methoxy-3-propoxyphenyl)-2-pyridinyl]methanol (PubChem CID 156778870) has the molecular formula C19H24BNO5 and a molecular weight of 357.22 g/mol. Its IUPAC name is [4-[(4R)-2-hydroxyoxaborolan-4-yl]-6-(4-methoxy-3-propoxyphenyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[4-[(4R)-2-hydroxyoxaborolan-4-yl]-6-(4-methoxy-3-propoxyphenyl)-2-pyridinyl]methanol
PubChem CID156778870
Molecular FormulaC19H24BNO5
Molecular Weight357.22 g/mol
Exact Mass357.17
IUPAC Name[4-[(4R)-2-hydroxyoxaborolan-4-yl]-6-(4-methoxy-3-propoxyphenyl)-2-pyridinyl]methanol
SMILESCCCOc1cc(-c2cc([C@@H]3COB(O)C3)cc(CO)n2)ccc1OC
InChIInChI=1S/C19H24BNO5/c1-3-6-25-19-9-13(4-5-18(19)24-2)17-8-14(7-16(11-22)21-17)15-10-20(23)26-12-15/h4-5,7-9,15,22-23H,3,6,10-12H2,1-2H3/t15-/m0/s1
InChIKeyDVDIJPCBMWHUJB-HNNXBMFYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[(4R)-2-hydroxyoxaborolan-4-yl]-6-(4-methoxy-3-propoxyphenyl)-2-pyridinyl]methanol?
The IUPAC name of [4-[(4R)-2-hydroxyoxaborolan-4-yl]-6-(4-methoxy-3-propoxyphenyl)-2-pyridinyl]methanol (CID 156778870) is [4-[(4R)-2-hydroxyoxaborolan-4-yl]-6-(4-methoxy-3-propoxyphenyl)-2-pyridinyl]methanol.
What is the SMILES notation for [4-[(4R)-2-hydroxyoxaborolan-4-yl]-6-(4-methoxy-3-propoxyphenyl)-2-pyridinyl]methanol?
The canonical SMILES for [4-[(4R)-2-hydroxyoxaborolan-4-yl]-6-(4-methoxy-3-propoxyphenyl)-2-pyridinyl]methanol is CCCOc1cc(-c2cc([C@@H]3COB(O)C3)cc(CO)n2)ccc1OC.
What is the InChIKey of [4-[(4R)-2-hydroxyoxaborolan-4-yl]-6-(4-methoxy-3-propoxyphenyl)-2-pyridinyl]methanol?
The InChIKey is DVDIJPCBMWHUJB-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24BNO5/c1-3-6-25-19-9-13(4-5-18(19)24-2)17-8-14(7-16(11-22)21-17)15-10-20(23)26-12-15/h4-5,7-9,15,22-23H,3,6,10-12H2,1-2H3/t15-/m0/s1.
What are the key properties of [4-[(4R)-2-hydroxyoxaborolan-4-yl]-6-(4-methoxy-3-propoxyphenyl)-2-pyridinyl]methanol?
[4-[(4R)-2-hydroxyoxaborolan-4-yl]-6-(4-methoxy-3-propoxyphenyl)-2-pyridinyl]methanol has a molecular weight of 357.22 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4R)-2-hydroxyoxaborolan-4-yl]-6-(4-methoxy-3-propoxyphenyl)-2-pyridinyl]methanol is sourced from PubChem (CID 156778870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).