4-[(R)-amino(diethoxyphosphoryl)methyl]-3-methoxyphenol

C12H20NO5P — CID 171192094

IUPAC4-[(R)-amino(diethoxyphosphoryl)methyl]-3-methoxyphenol
SMILESCCOP(=O)(OCC)[C@@H](N)c1ccc(O)cc1OC
InChIInChI=1S/C12H20NO5P/c1-4-17-19(15,18-5-2)12(13)10-7-6-9(14)8-11(10)16-3/h6-8,12,14H,4-5,13H2,1-3H3/t12-/m1/s1
InChIKeyQLZZPUWTRJLSET-GFCCVEGCSA-N
MW289.27 g/mol
LogP2.62
Rot. Bonds7

About 4-[(R)-amino(diethoxyphosphoryl)methyl]-3-methoxyphenol

4-[(R)-amino(diethoxyphosphoryl)methyl]-3-methoxyphenol (PubChem CID 171192094) has the molecular formula C12H20NO5P and a molecular weight of 289.27 g/mol. Its IUPAC name is 4-[(R)-amino(diethoxyphosphoryl)methyl]-3-methoxyphenol.

Molecular Properties

Compound Name4-[(R)-amino(diethoxyphosphoryl)methyl]-3-methoxyphenol
PubChem CID171192094
Molecular FormulaC12H20NO5P
Molecular Weight289.27 g/mol
Exact Mass289.11
IUPAC Name4-[(R)-amino(diethoxyphosphoryl)methyl]-3-methoxyphenol
SMILESCCOP(=O)(OCC)[C@@H](N)c1ccc(O)cc1OC
InChIInChI=1S/C12H20NO5P/c1-4-17-19(15,18-5-2)12(13)10-7-6-9(14)8-11(10)16-3/h6-8,12,14H,4-5,13H2,1-3H3/t12-/m1/s1
InChIKeyQLZZPUWTRJLSET-GFCCVEGCSA-N
XLogP2.62
TPSA91.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[(S)-amino(diethoxyphosphoryl)methyl]-3-fluorophenol
CID 171191642
(S)-diethoxyphosphoryl-(2-methoxyphenyl)methanamine
CID 92836108
(R)-diethoxyphosphoryl-[2-methoxy-4-(trifluoromethyl)phenyl]methanamine
CID 171192431
(S)-(4-bromo-2,5-dimethoxyphenyl)-diethoxyphosphorylmethanamine
CID 171191976
4-[amino(diethoxyphosphoryl)methyl]-2-methoxyphenol
CID 102231282
(R)-diethoxyphosphoryl-(2-methoxy-5-propan-2-ylphenyl)methanamine
CID 171192428
2-[(R)-amino(diethoxyphosphoryl)methyl]-4-methoxyphenol
CID 171192137
(S)-diethoxyphosphoryl-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 171191962
2-[(S)-amino(diethoxyphosphoryl)methyl]phenol
CID 171191680
(R)-diethoxyphosphoryl-(3-ethoxy-4-methoxyphenyl)methanamine
CID 171192311
(S)-diethoxyphosphoryl-(4,5-dimethoxy-2-phenylmethoxyphenyl)methanamine
CID 171191970
ethyl 2,3-dihydroxy-3-(4-hydroxy-2-methoxyphenyl)propanoate
CID 171865971

Frequently Asked Questions

What is the IUPAC name of 4-[(R)-amino(diethoxyphosphoryl)methyl]-3-methoxyphenol?
The IUPAC name of 4-[(R)-amino(diethoxyphosphoryl)methyl]-3-methoxyphenol (CID 171192094) is 4-[(R)-amino(diethoxyphosphoryl)methyl]-3-methoxyphenol.
What is the SMILES notation for 4-[(R)-amino(diethoxyphosphoryl)methyl]-3-methoxyphenol?
The canonical SMILES for 4-[(R)-amino(diethoxyphosphoryl)methyl]-3-methoxyphenol is CCOP(=O)(OCC)[C@@H](N)c1ccc(O)cc1OC.
What is the InChIKey of 4-[(R)-amino(diethoxyphosphoryl)methyl]-3-methoxyphenol?
The InChIKey is QLZZPUWTRJLSET-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H20NO5P/c1-4-17-19(15,18-5-2)12(13)10-7-6-9(14)8-11(10)16-3/h6-8,12,14H,4-5,13H2,1-3H3/t12-/m1/s1.
What are the key properties of 4-[(R)-amino(diethoxyphosphoryl)methyl]-3-methoxyphenol?
4-[(R)-amino(diethoxyphosphoryl)methyl]-3-methoxyphenol has a molecular weight of 289.27 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-amino(diethoxyphosphoryl)methyl]-3-methoxyphenol is sourced from PubChem (CID 171192094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).