[hydroxy-[5-hydroxy-4-(hydroxymethyl)-6-methyl-2-phenyl-3-pyridinyl]methyl]-methylphosphinic acid

C15H18NO5P — CID 58732497

IUPAC[hydroxy-[5-hydroxy-4-(hydroxymethyl)-6-methyl-2-phenyl-3-pyridinyl]methyl]-methylphosphinic acid
SMILESCc1nc(-c2ccccc2)c(C(O)P(C)(=O)O)c(CO)c1O
InChIInChI=1S/C15H18NO5P/c1-9-14(18)11(8-17)12(15(19)22(2,20)21)13(16-9)10-6-4-3-5-7-10/h3-7,15,17-19H,8H2,1-2H3,(H,20,21)
InChIKeyBNSIHJZKMGEOPU-UHFFFAOYSA-N
MW323.28 g/mol
LogP2.15
Rot. Bonds4

About [hydroxy-[5-hydroxy-4-(hydroxymethyl)-6-methyl-2-phenyl-3-pyridinyl]methyl]-methylphosphinic acid

[hydroxy-[5-hydroxy-4-(hydroxymethyl)-6-methyl-2-phenyl-3-pyridinyl]methyl]-methylphosphinic acid (PubChem CID 58732497) has the molecular formula C15H18NO5P and a molecular weight of 323.28 g/mol. Its IUPAC name is [hydroxy-[5-hydroxy-4-(hydroxymethyl)-6-methyl-2-phenyl-3-pyridinyl]methyl]-methylphosphinic acid.

Molecular Properties

Compound Name[hydroxy-[5-hydroxy-4-(hydroxymethyl)-6-methyl-2-phenyl-3-pyridinyl]methyl]-methylphosphinic acid
PubChem CID58732497
Molecular FormulaC15H18NO5P
Molecular Weight323.28 g/mol
Exact Mass323.09
IUPAC Name[hydroxy-[5-hydroxy-4-(hydroxymethyl)-6-methyl-2-phenyl-3-pyridinyl]methyl]-methylphosphinic acid
SMILESCc1nc(-c2ccccc2)c(C(O)P(C)(=O)O)c(CO)c1O
InChIInChI=1S/C15H18NO5P/c1-9-14(18)11(8-17)12(15(19)22(2,20)21)13(16-9)10-6-4-3-5-7-10/h3-7,15,17-19H,8H2,1-2H3,(H,20,21)
InChIKeyBNSIHJZKMGEOPU-UHFFFAOYSA-N
XLogP2.15
TPSA110.88 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.28
LogP ≤ 52.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2,6-diphenylpyrimidin-5-ol
CID 135012179
2,3,4,5-tetrakis(hydroxymethyl)-6-phenylphenol
CID 88593001
(5-methyl-4-phenylpyrimidin-2-yl)methanol
CID 129064936
dimethylphosphoryl(phenyl)methanol
CID 58658737
4-ethyl-1-methyl-3-phenylisoquinoline
CID 44606951
[1,1-difluoro-2-hydroxy-2-[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]ethyl]phosphonic acid
CID 69434839
2,3-dimethyl-6,7-diphenylquinoxaline
CID 163197223
(4-chloro-2-phenyl-3-pyridinyl)methanol
CID 131319746
2-(2-chloro-4-methyl-6-phenylpyrimidin-5-yl)pentanoic acid
CID 123767989
2-[4-(6,7-dimethyl-3-phenylquinoxalin-2-yl)phenyl]-6,7-dimethyl-3-phenylquinoxaline
CID 58299261
1-methyl-4-(2-phenylphenyl)benzene;phosphoric acid
CID 67896941
1-methyl-2-phenylbenzene;phosphoric acid
CID 159087333

Frequently Asked Questions

What is the IUPAC name of [hydroxy-[5-hydroxy-4-(hydroxymethyl)-6-methyl-2-phenyl-3-pyridinyl]methyl]-methylphosphinic acid?
The IUPAC name of [hydroxy-[5-hydroxy-4-(hydroxymethyl)-6-methyl-2-phenyl-3-pyridinyl]methyl]-methylphosphinic acid (CID 58732497) is [hydroxy-[5-hydroxy-4-(hydroxymethyl)-6-methyl-2-phenyl-3-pyridinyl]methyl]-methylphosphinic acid.
What is the SMILES notation for [hydroxy-[5-hydroxy-4-(hydroxymethyl)-6-methyl-2-phenyl-3-pyridinyl]methyl]-methylphosphinic acid?
The canonical SMILES for [hydroxy-[5-hydroxy-4-(hydroxymethyl)-6-methyl-2-phenyl-3-pyridinyl]methyl]-methylphosphinic acid is Cc1nc(-c2ccccc2)c(C(O)P(C)(=O)O)c(CO)c1O.
What is the InChIKey of [hydroxy-[5-hydroxy-4-(hydroxymethyl)-6-methyl-2-phenyl-3-pyridinyl]methyl]-methylphosphinic acid?
The InChIKey is BNSIHJZKMGEOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18NO5P/c1-9-14(18)11(8-17)12(15(19)22(2,20)21)13(16-9)10-6-4-3-5-7-10/h3-7,15,17-19H,8H2,1-2H3,(H,20,21).
What are the key properties of [hydroxy-[5-hydroxy-4-(hydroxymethyl)-6-methyl-2-phenyl-3-pyridinyl]methyl]-methylphosphinic acid?
[hydroxy-[5-hydroxy-4-(hydroxymethyl)-6-methyl-2-phenyl-3-pyridinyl]methyl]-methylphosphinic acid has a molecular weight of 323.28 g/mol, XLogP of 2.15, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy-[5-hydroxy-4-(hydroxymethyl)-6-methyl-2-phenyl-3-pyridinyl]methyl]-methylphosphinic acid is sourced from PubChem (CID 58732497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).