4-[1-di(propan-2-yl)phosphoryl-2-pyridin-3-ylethyl]-2-methoxy-6-methylphenol

C21H30NO3P — CID 10237295

IUPAC4-[1-di(propan-2-yl)phosphoryl-2-pyridin-3-ylethyl]-2-methoxy-6-methylphenol
SMILESCOc1cc(C(Cc2cccnc2)P(=O)(C(C)C)C(C)C)cc(C)c1O
InChIInChI=1S/C21H30NO3P/c1-14(2)26(24,15(3)4)20(11-17-8-7-9-22-13-17)18-10-16(5)21(23)19(12-18)25-6/h7-10,12-15,20,23H,11H2,1-6H3
InChIKeyMQDXLWYFJJAFDM-UHFFFAOYSA-N
MW375.45 g/mol
LogP5.57
Rot. Bonds7

About 4-[1-di(propan-2-yl)phosphoryl-2-pyridin-3-ylethyl]-2-methoxy-6-methylphenol

4-[1-di(propan-2-yl)phosphoryl-2-pyridin-3-ylethyl]-2-methoxy-6-methylphenol (PubChem CID 10237295) has the molecular formula C21H30NO3P and a molecular weight of 375.45 g/mol. Its IUPAC name is 4-[1-di(propan-2-yl)phosphoryl-2-pyridin-3-ylethyl]-2-methoxy-6-methylphenol.

Molecular Properties

Compound Name4-[1-di(propan-2-yl)phosphoryl-2-pyridin-3-ylethyl]-2-methoxy-6-methylphenol
PubChem CID10237295
Molecular FormulaC21H30NO3P
Molecular Weight375.45 g/mol
Exact Mass375.20
IUPAC Name4-[1-di(propan-2-yl)phosphoryl-2-pyridin-3-ylethyl]-2-methoxy-6-methylphenol
SMILESCOc1cc(C(Cc2cccnc2)P(=O)(C(C)C)C(C)C)cc(C)c1O
InChIInChI=1S/C21H30NO3P/c1-14(2)26(24,15(3)4)20(11-17-8-7-9-22-13-17)18-10-16(5)21(23)19(12-18)25-6/h7-10,12-15,20,23H,11H2,1-6H3
InChIKeyMQDXLWYFJJAFDM-UHFFFAOYSA-N
XLogP5.57
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.45
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(1-dimethoxyphosphoryl-2-pyridin-3-ylethyl)-2-methoxy-6-methylphenol
CID 87871788
4-(1-diethoxyphosphoryl-2-pyridin-3-ylethyl)-2,6-dimethylphenol
CID 87871953
[1-(3-ethoxy-4-hydroxy-5-methylphenyl)-2-(pyridin-3-ylamino)ethyl]phosphonic acid
CID 91364443
1-(4-methoxy-3-methylphenyl)-2-pyridin-3-ylethanamine
CID 104736678
4-[diethoxyphosphoryl-(pyridin-3-ylmethylamino)methyl]-2,6-dimethoxyphenol
CID 15463407
2-methoxy-4-methyl-5-(1-pyridin-3-ylpropan-2-ylcarbamoyl)benzoic acid
CID 167897060
4-[2-di(propan-2-yloxy)phosphoryl-1-(pyridin-3-ylamino)ethyl]-2,6-dimethylphenol
CID 10158246
2,6-dimethyl-4-[1-[methyl(pyridin-3-ylmethyl)amino]propan-2-yl]phenol
CID 59073565
1-(3,4-dimethylphenyl)-N-methyl-2-pyridin-3-ylethanamine
CID 62549735
3-(2,2-dimethoxyethyl)pyridine
CID 118705230
(2R)-2-hydroxy-2-(4-hydroxy-3-methoxy-5-methylphenyl)acetic acid
CID 67997136
2-methyl-1-phenyl-3-pyridin-3-ylpropan-1-one
CID 104845055

Frequently Asked Questions

What is the IUPAC name of 4-[1-di(propan-2-yl)phosphoryl-2-pyridin-3-ylethyl]-2-methoxy-6-methylphenol?
The IUPAC name of 4-[1-di(propan-2-yl)phosphoryl-2-pyridin-3-ylethyl]-2-methoxy-6-methylphenol (CID 10237295) is 4-[1-di(propan-2-yl)phosphoryl-2-pyridin-3-ylethyl]-2-methoxy-6-methylphenol.
What is the SMILES notation for 4-[1-di(propan-2-yl)phosphoryl-2-pyridin-3-ylethyl]-2-methoxy-6-methylphenol?
The canonical SMILES for 4-[1-di(propan-2-yl)phosphoryl-2-pyridin-3-ylethyl]-2-methoxy-6-methylphenol is COc1cc(C(Cc2cccnc2)P(=O)(C(C)C)C(C)C)cc(C)c1O.
What is the InChIKey of 4-[1-di(propan-2-yl)phosphoryl-2-pyridin-3-ylethyl]-2-methoxy-6-methylphenol?
The InChIKey is MQDXLWYFJJAFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30NO3P/c1-14(2)26(24,15(3)4)20(11-17-8-7-9-22-13-17)18-10-16(5)21(23)19(12-18)25-6/h7-10,12-15,20,23H,11H2,1-6H3.
What are the key properties of 4-[1-di(propan-2-yl)phosphoryl-2-pyridin-3-ylethyl]-2-methoxy-6-methylphenol?
4-[1-di(propan-2-yl)phosphoryl-2-pyridin-3-ylethyl]-2-methoxy-6-methylphenol has a molecular weight of 375.45 g/mol, XLogP of 5.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-di(propan-2-yl)phosphoryl-2-pyridin-3-ylethyl]-2-methoxy-6-methylphenol is sourced from PubChem (CID 10237295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).