1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(phosphanylamino)ethanol

C10H14NO3P — CID 155152100

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(phosphanylamino)ethanol
SMILESOC(CNP)c1ccc2c(c1)OCCO2
InChIInChI=1S/C10H14NO3P/c12-8(6-11-15)7-1-2-9-10(5-7)14-4-3-13-9/h1-2,5,8,11-12H,3-4,6,15H2
InChIKeyQXVQFUWRDUATRZ-UHFFFAOYSA-N
MW227.20 g/mol
LogP0.87
Rot. Bonds3

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(phosphanylamino)ethanol

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(phosphanylamino)ethanol (PubChem CID 155152100) has the molecular formula C10H14NO3P and a molecular weight of 227.20 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(phosphanylamino)ethanol.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(phosphanylamino)ethanol
PubChem CID155152100
Molecular FormulaC10H14NO3P
Molecular Weight227.20 g/mol
Exact Mass227.07
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(phosphanylamino)ethanol
SMILESOC(CNP)c1ccc2c(c1)OCCO2
InChIInChI=1S/C10H14NO3P/c12-8(6-11-15)7-1-2-9-10(5-7)14-4-3-13-9/h1-2,5,8,11-12H,3-4,6,15H2
InChIKeyQXVQFUWRDUATRZ-UHFFFAOYSA-N
XLogP0.87
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.20
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 7300390
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylpentan-3-ylamino)ethanol
CID 103746683
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-fluoroanilino)ethanol
CID 60897392
1-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,3-diol
CID 45122033
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(ethylamino)ethanol
CID 62775279
1-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)ethanol
CID 47052990
(1R)-1-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)ethanol
CID 94174339
1-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]amino]-4-methylpentan-2-ol
CID 107152410
3-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol
CID 65184600
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5,5-trifluoropentan-1-ol
CID 115515355
bis(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 69205409
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]benzamide
CID 119099537

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(phosphanylamino)ethanol?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(phosphanylamino)ethanol (CID 155152100) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(phosphanylamino)ethanol.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(phosphanylamino)ethanol?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(phosphanylamino)ethanol is OC(CNP)c1ccc2c(c1)OCCO2.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(phosphanylamino)ethanol?
The InChIKey is QXVQFUWRDUATRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14NO3P/c12-8(6-11-15)7-1-2-9-10(5-7)14-4-3-13-9/h1-2,5,8,11-12H,3-4,6,15H2.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(phosphanylamino)ethanol?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(phosphanylamino)ethanol has a molecular weight of 227.20 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(phosphanylamino)ethanol is sourced from PubChem (CID 155152100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).