[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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Related Compounds

2-[(4S)-2-hydroxyoxaborolan-4-yl]-6-(4-methoxy-3-propoxyphenyl)pyrazine
CID 156778851
4-[(4S)-2-hydroxyoxaborolan-4-yl]-2-(4-methoxy-3-propoxyphenyl)pyrimidine
CID 156778822
3-(2-hydroxyoxaborolan-4-yl)-5-(4-methoxy-3-propoxyphenyl)-1,2,4-thiadiazole
CID 150906143
3-(2-hydroxyoxaborolan-4-yl)-1-(4-methoxy-3-propoxyphenyl)pyrazole
CID 150291103
3-(3-ethoxy-4-methoxyphenyl)-5-[(4R)-2-hydroxyoxaborolan-4-yl]-2-methylpyridine
CID 149472731
2-[(3R,4R)-2-hydroxy-3-methyloxaborolan-4-yl]-6-(4-methoxy-3-propoxyphenyl)pyridine
CID 156778789
(4S)-4-[3-(2-fluoro-4-methoxy-3-propoxyphenyl)phenyl]-2-hydroxyoxaborolane
CID 156900438
5-[(4R)-2-hydroxyoxaborolan-4-yl]-3-(6-methoxy-5-propoxy-3-pyridinyl)-2-methylpyridine
CID 156900461
3-(3-cyclopropyloxy-4-methoxyphenyl)-5-(2-hydroxyoxaborolan-4-yl)pyridine
CID 151851952
2-(2-fluoro-4-methoxy-3-propoxyphenyl)-6-[(4S)-2-hydroxyoxaborolan-4-yl]pyrazine
CID 156778836
(4R)-4-[3-(3-cyclopentyloxy-4-methoxyphenyl)phenyl]-2-hydroxyoxaborolane
CID 156900450
6-[6-[(4S)-2-hydroxyoxaborolan-4-yl]-2-pyridinyl]-3-methoxy-2-propoxybenzonitrile
CID 156778810

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).