(3-benzylfuran-2-yl)-dimethoxyphosphorylmethanone

C14H15O5P — CID 24807000

IUPAC(3-benzylfuran-2-yl)-dimethoxyphosphorylmethanone
SMILESCOP(=O)(OC)C(=O)c1occc1Cc1ccccc1
InChIInChI=1S/C14H15O5P/c1-17-20(16,18-2)14(15)13-12(8-9-19-13)10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3
InChIKeyXEPGCNXOTMQWGS-UHFFFAOYSA-N
MW294.24 g/mol
LogP3.50
Rot. Bonds6

About (3-benzylfuran-2-yl)-dimethoxyphosphorylmethanone

(3-benzylfuran-2-yl)-dimethoxyphosphorylmethanone (PubChem CID 24807000) has the molecular formula C14H15O5P and a molecular weight of 294.24 g/mol. Its IUPAC name is (3-benzylfuran-2-yl)-dimethoxyphosphorylmethanone.

Molecular Properties

Compound Name(3-benzylfuran-2-yl)-dimethoxyphosphorylmethanone
PubChem CID24807000
Molecular FormulaC14H15O5P
Molecular Weight294.24 g/mol
Exact Mass294.07
IUPAC Name(3-benzylfuran-2-yl)-dimethoxyphosphorylmethanone
SMILESCOP(=O)(OC)C(=O)c1occc1Cc1ccccc1
InChIInChI=1S/C14H15O5P/c1-17-20(16,18-2)14(15)13-12(8-9-19-13)10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3
InChIKeyXEPGCNXOTMQWGS-UHFFFAOYSA-N
XLogP3.50
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-benzylfuran-2-yl)-dimethoxyphosphorylmethanone?
The IUPAC name of (3-benzylfuran-2-yl)-dimethoxyphosphorylmethanone (CID 24807000) is (3-benzylfuran-2-yl)-dimethoxyphosphorylmethanone.
What is the SMILES notation for (3-benzylfuran-2-yl)-dimethoxyphosphorylmethanone?
The canonical SMILES for (3-benzylfuran-2-yl)-dimethoxyphosphorylmethanone is COP(=O)(OC)C(=O)c1occc1Cc1ccccc1.
What is the InChIKey of (3-benzylfuran-2-yl)-dimethoxyphosphorylmethanone?
The InChIKey is XEPGCNXOTMQWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15O5P/c1-17-20(16,18-2)14(15)13-12(8-9-19-13)10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3.
What are the key properties of (3-benzylfuran-2-yl)-dimethoxyphosphorylmethanone?
(3-benzylfuran-2-yl)-dimethoxyphosphorylmethanone has a molecular weight of 294.24 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzylfuran-2-yl)-dimethoxyphosphorylmethanone is sourced from PubChem (CID 24807000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).