2-bis(4-methylphenoxy)phosphoryl-1-(hydroxyamino)ethanol

C16H20NO5P — CID 175356506

IUPAC2-bis(4-methylphenoxy)phosphoryl-1-(hydroxyamino)ethanol
SMILESCc1ccc(OP(=O)(CC(O)NO)Oc2ccc(C)cc2)cc1
InChIInChI=1S/C16H20NO5P/c1-12-3-7-14(8-4-12)21-23(20,11-16(18)17-19)22-15-9-5-13(2)6-10-15/h3-10,16-19H,11H2,1-2H3
InChIKeyAQBQNBTWBNIRKE-UHFFFAOYSA-N
MW337.31 g/mol
LogP3.25
Rot. Bonds7

About 2-bis(4-methylphenoxy)phosphoryl-1-(hydroxyamino)ethanol

2-bis(4-methylphenoxy)phosphoryl-1-(hydroxyamino)ethanol (PubChem CID 175356506) has the molecular formula C16H20NO5P and a molecular weight of 337.31 g/mol. Its IUPAC name is 2-bis(4-methylphenoxy)phosphoryl-1-(hydroxyamino)ethanol.

Molecular Properties

Compound Name2-bis(4-methylphenoxy)phosphoryl-1-(hydroxyamino)ethanol
PubChem CID175356506
Molecular FormulaC16H20NO5P
Molecular Weight337.31 g/mol
Exact Mass337.11
IUPAC Name2-bis(4-methylphenoxy)phosphoryl-1-(hydroxyamino)ethanol
SMILESCc1ccc(OP(=O)(CC(O)NO)Oc2ccc(C)cc2)cc1
InChIInChI=1S/C16H20NO5P/c1-12-3-7-14(8-4-12)21-23(20,11-16(18)17-19)22-15-9-5-13(2)6-10-15/h3-10,16-19H,11H2,1-2H3
InChIKeyAQBQNBTWBNIRKE-UHFFFAOYSA-N
XLogP3.25
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-bis(4-methylphenoxy)phosphoryl-1-(hydroxyamino)ethanol with MolForge

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

Launch Full Analysis

Related Compounds

propan-2-one;tris(4-methylphenyl) phosphate
CID 174813500
1-methyl-4-[(4-methylphenoxy)-prop-2-enylphosphoryl]oxybenzene
CID 87155254
guanidine;tris(4-methylphenyl) phosphate
CID 174666198
alumane;tris(4-methylphenyl) phosphate
CID 174515145
CID 67928069
CID 67928069
potassium;tris(4-methylphenyl) phosphate;hydroxide
CID 174496858
(4-methylphenyl) 2-methylpropyl hydrogen phosphate
CID 175181889
2-bis(4-methylphenoxy)phosphoryl-1-(4-fluorophenyl)ethanone
CID 175041045
magnesium;hydride;tris(4-methylphenyl) phosphate;hydrate
CID 174887433
bromosilver;tris(4-methylphenyl) phosphate
CID 160750734
1-methyl-4-[(4-methylphenoxy)-(4-methylphenyl)phosphoryl]oxybenzene
CID 54463296
bis(4-methylphenyl) 2-methylpropyl phosphate
CID 172710371

Frequently Asked Questions

What is the IUPAC name of 2-bis(4-methylphenoxy)phosphoryl-1-(hydroxyamino)ethanol?
The IUPAC name of 2-bis(4-methylphenoxy)phosphoryl-1-(hydroxyamino)ethanol (CID 175356506) is 2-bis(4-methylphenoxy)phosphoryl-1-(hydroxyamino)ethanol.
What is the SMILES notation for 2-bis(4-methylphenoxy)phosphoryl-1-(hydroxyamino)ethanol?
The canonical SMILES for 2-bis(4-methylphenoxy)phosphoryl-1-(hydroxyamino)ethanol is Cc1ccc(OP(=O)(CC(O)NO)Oc2ccc(C)cc2)cc1.
What is the InChIKey of 2-bis(4-methylphenoxy)phosphoryl-1-(hydroxyamino)ethanol?
The InChIKey is AQBQNBTWBNIRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20NO5P/c1-12-3-7-14(8-4-12)21-23(20,11-16(18)17-19)22-15-9-5-13(2)6-10-15/h3-10,16-19H,11H2,1-2H3.
What are the key properties of 2-bis(4-methylphenoxy)phosphoryl-1-(hydroxyamino)ethanol?
2-bis(4-methylphenoxy)phosphoryl-1-(hydroxyamino)ethanol has a molecular weight of 337.31 g/mol, XLogP of 3.25, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bis(4-methylphenoxy)phosphoryl-1-(hydroxyamino)ethanol is sourced from PubChem (CID 175356506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).