(1-ethoxy-3-hydroxypropan-2-yl) phosphanylformate

C6H13O4P — CID 155630613

IUPAC(1-ethoxy-3-hydroxypropan-2-yl) phosphanylformate
SMILESCCOCC(CO)OC(=O)P
InChIInChI=1S/C6H13O4P/c1-2-9-4-5(3-7)10-6(8)11/h5,7H,2-4,11H2,1H3
InChIKeyHAVBPFVBQVFPFQ-UHFFFAOYSA-N
MW180.14 g/mol
LogP0.40
Rot. Bonds5

About (1-ethoxy-3-hydroxypropan-2-yl) phosphanylformate

(1-ethoxy-3-hydroxypropan-2-yl) phosphanylformate (PubChem CID 155630613) has the molecular formula C6H13O4P and a molecular weight of 180.14 g/mol. Its IUPAC name is (1-ethoxy-3-hydroxypropan-2-yl) phosphanylformate.

Molecular Properties

Compound Name(1-ethoxy-3-hydroxypropan-2-yl) phosphanylformate
PubChem CID155630613
Molecular FormulaC6H13O4P
Molecular Weight180.14 g/mol
Exact Mass180.06
IUPAC Name(1-ethoxy-3-hydroxypropan-2-yl) phosphanylformate
SMILESCCOCC(CO)OC(=O)P
InChIInChI=1S/C6H13O4P/c1-2-9-4-5(3-7)10-6(8)11/h5,7H,2-4,11H2,1H3
InChIKeyHAVBPFVBQVFPFQ-UHFFFAOYSA-N
XLogP0.40
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.14
LogP ≤ 50.40
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

(2R)-2,3-diethoxypropan-1-ol
CID 129362297
[(2R)-1-hydroxy-3-methoxypropan-2-yl] acetate
CID 130694563
1-ethoxypentan-2-yl hydrogen carbonate
CID 139923305
[(2R)-1-hydroxy-3-(hydroxymethoxy)propan-2-yl] pentadecanoate
CID 59520968
[(2R)-1-hydroxy-3-(hydroxymethoxy)propan-2-yl] tetradecanoate
CID 59520994
[(2S)-1-hydroxy-3-(hydroxymethoxy)propan-2-yl] hexadecanoate
CID 59520981
1-ethoxyhexan-2-yl hydrogen carbonate
CID 139923308
2-(2-ethoxy-1-methoxyethoxy)butan-1-ol
CID 118017313
(1-hydroxy-3-tetradecoxypropan-2-yl) methyl carbonate
CID 54143441
(1-heptadecoxy-3-hydroxypropan-2-yl) propanoate
CID 164503226
2-(1,3-diethoxypropan-2-yloxy)-1,3-diethoxypropane
CID 87533992
[(2S)-1-hydroxy-3-octadecoxypropan-2-yl] butanoate
CID 87845035

Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-3-hydroxypropan-2-yl) phosphanylformate?
The IUPAC name of (1-ethoxy-3-hydroxypropan-2-yl) phosphanylformate (CID 155630613) is (1-ethoxy-3-hydroxypropan-2-yl) phosphanylformate.
What is the SMILES notation for (1-ethoxy-3-hydroxypropan-2-yl) phosphanylformate?
The canonical SMILES for (1-ethoxy-3-hydroxypropan-2-yl) phosphanylformate is CCOCC(CO)OC(=O)P.
What is the InChIKey of (1-ethoxy-3-hydroxypropan-2-yl) phosphanylformate?
The InChIKey is HAVBPFVBQVFPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O4P/c1-2-9-4-5(3-7)10-6(8)11/h5,7H,2-4,11H2,1H3.
What are the key properties of (1-ethoxy-3-hydroxypropan-2-yl) phosphanylformate?
(1-ethoxy-3-hydroxypropan-2-yl) phosphanylformate has a molecular weight of 180.14 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-3-hydroxypropan-2-yl) phosphanylformate is sourced from PubChem (CID 155630613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).