1-[ethoxy(methoxy)phosphoryl]prop-2-en-1-ol

C6H13O4P — CID 71365075

IUPAC1-[ethoxy(methoxy)phosphoryl]prop-2-en-1-ol
SMILESC=CC(O)P(=O)(OC)OCC
InChIInChI=1S/C6H13O4P/c1-4-6(7)11(8,9-3)10-5-2/h4,6-7H,1,5H2,2-3H3
InChIKeyREYXCIDAOXBTNV-UHFFFAOYSA-N
MW180.14 g/mol
LogP1.37
Rot. Bonds5

About 1-[ethoxy(methoxy)phosphoryl]prop-2-en-1-ol

1-[ethoxy(methoxy)phosphoryl]prop-2-en-1-ol (PubChem CID 71365075) has the molecular formula C6H13O4P and a molecular weight of 180.14 g/mol. Its IUPAC name is 1-[ethoxy(methoxy)phosphoryl]prop-2-en-1-ol.

Molecular Properties

Compound Name1-[ethoxy(methoxy)phosphoryl]prop-2-en-1-ol
PubChem CID71365075
Molecular FormulaC6H13O4P
Molecular Weight180.14 g/mol
Exact Mass180.06
IUPAC Name1-[ethoxy(methoxy)phosphoryl]prop-2-en-1-ol
SMILESC=CC(O)P(=O)(OC)OCC
InChIInChI=1S/C6H13O4P/c1-4-6(7)11(8,9-3)10-5-2/h4,6-7H,1,5H2,2-3H3
InChIKeyREYXCIDAOXBTNV-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[ethoxy(methoxy)phosphoryl]prop-2-en-1-ol 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

ethoxy(1-hydroxyprop-2-enyl)phosphinic acid
CID 175532614
4-diethoxyphosphorylhex-5-en-3-ol
CID 11031859
3-diethoxyphosphorylbut-1-ene
CID 13357671
(4R)-1-chloro-1-diethoxyphosphoryl-4-hydroxyhex-5-en-2-one
CID 23421864
(1R)-1-diethoxyphosphoryl-3-methoxypropan-1-ol
CID 125471550
(2R,3S)-3-diethoxyphosphorylbutan-2-ol
CID 11031085
(4E,7S)-2-diethoxyphosphoryl-7-hydroxy-6,6-dimethylnona-4,8-dien-3-one
CID 71601287
methyl (E)-4-diethoxyphosphorylpent-2-enoate
CID 24864443
[diethoxyphosphoryl(trimethylsilyl)methyl]-trimethylsilane
CID 13199614
(1S)-1-diethoxyphosphoryl-3-methylbutan-1-ol
CID 10944092
(2S,3R)-3-diethoxyphosphorylpentan-2-ol
CID 166436787
N-tert-butyl-N-[1-[ethoxy(methoxy)phosphoryl]-2,2-dimethylpropyl]hydroxylamine
CID 20751673

Frequently Asked Questions

What is the IUPAC name of 1-[ethoxy(methoxy)phosphoryl]prop-2-en-1-ol?
The IUPAC name of 1-[ethoxy(methoxy)phosphoryl]prop-2-en-1-ol (CID 71365075) is 1-[ethoxy(methoxy)phosphoryl]prop-2-en-1-ol.
What is the SMILES notation for 1-[ethoxy(methoxy)phosphoryl]prop-2-en-1-ol?
The canonical SMILES for 1-[ethoxy(methoxy)phosphoryl]prop-2-en-1-ol is C=CC(O)P(=O)(OC)OCC.
What is the InChIKey of 1-[ethoxy(methoxy)phosphoryl]prop-2-en-1-ol?
The InChIKey is REYXCIDAOXBTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O4P/c1-4-6(7)11(8,9-3)10-5-2/h4,6-7H,1,5H2,2-3H3.
What are the key properties of 1-[ethoxy(methoxy)phosphoryl]prop-2-en-1-ol?
1-[ethoxy(methoxy)phosphoryl]prop-2-en-1-ol has a molecular weight of 180.14 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethoxy(methoxy)phosphoryl]prop-2-en-1-ol is sourced from PubChem (CID 71365075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).