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

C12H20NO5P — CID 171192137

IUPAC2-[(R)-amino(diethoxyphosphoryl)methyl]-4-methoxyphenol
SMILESCCOP(=O)(OCC)[C@@H](N)c1cc(OC)ccc1O
InChIInChI=1S/C12H20NO5P/c1-4-17-19(15,18-5-2)12(13)10-8-9(16-3)6-7-11(10)14/h6-8,12,14H,4-5,13H2,1-3H3/t12-/m1/s1
InChIKeyYCEZJLQRCBBMMW-GFCCVEGCSA-N
MW289.27 g/mol
LogP2.62
Rot. Bonds7

About 2-[(R)-amino(diethoxyphosphoryl)methyl]-4-methoxyphenol

2-[(R)-amino(diethoxyphosphoryl)methyl]-4-methoxyphenol (PubChem CID 171192137) has the molecular formula C12H20NO5P and a molecular weight of 289.27 g/mol. Its IUPAC name is 2-[(R)-amino(diethoxyphosphoryl)methyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[(R)-amino(diethoxyphosphoryl)methyl]-4-methoxyphenol
PubChem CID171192137
Molecular FormulaC12H20NO5P
Molecular Weight289.27 g/mol
Exact Mass289.11
IUPAC Name2-[(R)-amino(diethoxyphosphoryl)methyl]-4-methoxyphenol
SMILESCCOP(=O)(OCC)[C@@H](N)c1cc(OC)ccc1O
InChIInChI=1S/C12H20NO5P/c1-4-17-19(15,18-5-2)12(13)10-8-9(16-3)6-7-11(10)14/h6-8,12,14H,4-5,13H2,1-3H3/t12-/m1/s1
InChIKeyYCEZJLQRCBBMMW-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': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(S)-diethoxyphosphoryl-(2-fluoro-5-methoxyphenyl)methanamine
CID 171191866
2-[(S)-amino(diethoxyphosphoryl)methyl]phenol
CID 171191680
4-[amino(diethoxyphosphoryl)methyl]-2-methoxyphenol
CID 102231282
(R)-diethoxyphosphoryl-(3-methoxyphenyl)methanamine
CID 171192082
2-(1-aminopropyl)-4-methoxyphenol
CID 19748508
(S)-diethoxyphosphoryl-(2-methoxyphenyl)methanamine
CID 92836108
ethyl (3R)-3-amino-2-fluoro-3-(2-hydroxy-5-methoxyphenyl)propanoate;hydrochloride
CID 171240573
2-[(1S)-1-amino-2-fluoroethyl]-4-methoxyphenol
CID 130739611
2-(1,2-diaminoethyl)-4-methoxyphenol
CID 55282717
2-[(1S,2R)-1-amino-2-hydroxypentyl]-4-methoxyphenol
CID 171267548
2-[(1R,2S)-1-amino-2-hydroxy-3-methylpentyl]-4-methoxyphenol
CID 171261862
(2-hydroxy-5-methoxyphenyl)methanediol
CID 69473075

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-amino(diethoxyphosphoryl)methyl]-4-methoxyphenol?
The IUPAC name of 2-[(R)-amino(diethoxyphosphoryl)methyl]-4-methoxyphenol (CID 171192137) is 2-[(R)-amino(diethoxyphosphoryl)methyl]-4-methoxyphenol.
What is the SMILES notation for 2-[(R)-amino(diethoxyphosphoryl)methyl]-4-methoxyphenol?
The canonical SMILES for 2-[(R)-amino(diethoxyphosphoryl)methyl]-4-methoxyphenol is CCOP(=O)(OCC)[C@@H](N)c1cc(OC)ccc1O.
What is the InChIKey of 2-[(R)-amino(diethoxyphosphoryl)methyl]-4-methoxyphenol?
The InChIKey is YCEZJLQRCBBMMW-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H20NO5P/c1-4-17-19(15,18-5-2)12(13)10-8-9(16-3)6-7-11(10)14/h6-8,12,14H,4-5,13H2,1-3H3/t12-/m1/s1.
What are the key properties of 2-[(R)-amino(diethoxyphosphoryl)methyl]-4-methoxyphenol?
2-[(R)-amino(diethoxyphosphoryl)methyl]-4-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 2-[(R)-amino(diethoxyphosphoryl)methyl]-4-methoxyphenol is sourced from PubChem (CID 171192137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).