(E)-1-dimethoxyphosphoryl-3-(furan-2-yl)prop-2-en-1-ol

C9H13O5P — CID 5470784

IUPAC(E)-1-dimethoxyphosphoryl-3-(furan-2-yl)prop-2-en-1-ol
SMILESCOP(=O)(OC)C(O)/C=C/c1ccco1
InChIInChI=1S/C9H13O5P/c1-12-15(11,13-2)9(10)6-5-8-4-3-7-14-8/h3-7,9-10H,1-2H3/b6-5+
InChIKeyNROBREGWPDWSHZ-AATRIKPKSA-N
MW232.17 g/mol
LogP2.10
Rot. Bonds5

About (E)-1-dimethoxyphosphoryl-3-(furan-2-yl)prop-2-en-1-ol

(E)-1-dimethoxyphosphoryl-3-(furan-2-yl)prop-2-en-1-ol (PubChem CID 5470784) has the molecular formula C9H13O5P and a molecular weight of 232.17 g/mol. Its IUPAC name is (E)-1-dimethoxyphosphoryl-3-(furan-2-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-1-dimethoxyphosphoryl-3-(furan-2-yl)prop-2-en-1-ol
PubChem CID5470784
Molecular FormulaC9H13O5P
Molecular Weight232.17 g/mol
Exact Mass232.05
IUPAC Name(E)-1-dimethoxyphosphoryl-3-(furan-2-yl)prop-2-en-1-ol
SMILESCOP(=O)(OC)C(O)/C=C/c1ccco1
InChIInChI=1S/C9H13O5P/c1-12-15(11,13-2)9(10)6-5-8-4-3-7-14-8/h3-7,9-10H,1-2H3/b6-5+
InChIKeyNROBREGWPDWSHZ-AATRIKPKSA-N
XLogP2.10
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.17
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-1-dimethoxyphosphoryl-3-(furan-2-yl)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

Frequently Asked Questions

What is the IUPAC name of (E)-1-dimethoxyphosphoryl-3-(furan-2-yl)prop-2-en-1-ol?
The IUPAC name of (E)-1-dimethoxyphosphoryl-3-(furan-2-yl)prop-2-en-1-ol (CID 5470784) is (E)-1-dimethoxyphosphoryl-3-(furan-2-yl)prop-2-en-1-ol.
What is the SMILES notation for (E)-1-dimethoxyphosphoryl-3-(furan-2-yl)prop-2-en-1-ol?
The canonical SMILES for (E)-1-dimethoxyphosphoryl-3-(furan-2-yl)prop-2-en-1-ol is COP(=O)(OC)C(O)/C=C/c1ccco1.
What is the InChIKey of (E)-1-dimethoxyphosphoryl-3-(furan-2-yl)prop-2-en-1-ol?
The InChIKey is NROBREGWPDWSHZ-AATRIKPKSA-N. The full InChI is InChI=1S/C9H13O5P/c1-12-15(11,13-2)9(10)6-5-8-4-3-7-14-8/h3-7,9-10H,1-2H3/b6-5+.
What are the key properties of (E)-1-dimethoxyphosphoryl-3-(furan-2-yl)prop-2-en-1-ol?
(E)-1-dimethoxyphosphoryl-3-(furan-2-yl)prop-2-en-1-ol has a molecular weight of 232.17 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-dimethoxyphosphoryl-3-(furan-2-yl)prop-2-en-1-ol is sourced from PubChem (CID 5470784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).