5-(2-diethoxyphosphorylethyl)-2,3-dihydro-1-benzofuran

C14H21O4P — CID 139018639

IUPAC5-(2-diethoxyphosphorylethyl)-2,3-dihydro-1-benzofuran
SMILESCCOP(=O)(CCc1ccc2c(c1)CCO2)OCC
InChIInChI=1S/C14H21O4P/c1-3-17-19(15,18-4-2)10-8-12-5-6-14-13(11-12)7-9-16-14/h5-6,11H,3-4,7-10H2,1-2H3
InChIKeyBYYCVIKANWFFTB-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.43
Rot. Bonds7

About 5-(2-diethoxyphosphorylethyl)-2,3-dihydro-1-benzofuran

5-(2-diethoxyphosphorylethyl)-2,3-dihydro-1-benzofuran (PubChem CID 139018639) has the molecular formula C14H21O4P and a molecular weight of 284.29 g/mol. Its IUPAC name is 5-(2-diethoxyphosphorylethyl)-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-(2-diethoxyphosphorylethyl)-2,3-dihydro-1-benzofuran
PubChem CID139018639
Molecular FormulaC14H21O4P
Molecular Weight284.29 g/mol
Exact Mass284.12
IUPAC Name5-(2-diethoxyphosphorylethyl)-2,3-dihydro-1-benzofuran
SMILESCCOP(=O)(CCc1ccc2c(c1)CCO2)OCC
InChIInChI=1S/C14H21O4P/c1-3-17-19(15,18-4-2)10-8-12-5-6-14-13(11-12)7-9-16-14/h5-6,11H,3-4,7-10H2,1-2H3
InChIKeyBYYCVIKANWFFTB-UHFFFAOYSA-N
XLogP3.43
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(2-diethoxyphosphorylethyl)-2,3-dihydro-1-benzofuran 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

N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-methylmethanediamine
CID 115226278
3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-methylamino]propane-1-thiol
CID 115225274
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-ethoxyethyl)ethanamine
CID 65431785
4-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-ethoxycyclobutyl)butan-2-one
CID 103167866
3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpropan-1-amine
CID 65446095
O-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]hydroxylamine
CID 83698233
ethyl 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-propylamino]acetate
CID 65446307
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N-methylcarbamoyl bromide
CID 115194145
5-(2-isocyanoethyl)-2,3-dihydro-1-benzofuran
CID 83481552
2,3-dihydro-1-benzofuran-5-ylmethylazanium
CID 6932006
5-(chloromethyl)-2,3-dihydro-1-benzofuran
CID 11789614
2,3-dihydro-1-benzofuran-5-ylmethanethiol
CID 79885132

Frequently Asked Questions

What is the IUPAC name of 5-(2-diethoxyphosphorylethyl)-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-(2-diethoxyphosphorylethyl)-2,3-dihydro-1-benzofuran (CID 139018639) is 5-(2-diethoxyphosphorylethyl)-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-(2-diethoxyphosphorylethyl)-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-(2-diethoxyphosphorylethyl)-2,3-dihydro-1-benzofuran is CCOP(=O)(CCc1ccc2c(c1)CCO2)OCC.
What is the InChIKey of 5-(2-diethoxyphosphorylethyl)-2,3-dihydro-1-benzofuran?
The InChIKey is BYYCVIKANWFFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21O4P/c1-3-17-19(15,18-4-2)10-8-12-5-6-14-13(11-12)7-9-16-14/h5-6,11H,3-4,7-10H2,1-2H3.
What are the key properties of 5-(2-diethoxyphosphorylethyl)-2,3-dihydro-1-benzofuran?
5-(2-diethoxyphosphorylethyl)-2,3-dihydro-1-benzofuran has a molecular weight of 284.29 g/mol, XLogP of 3.43, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-diethoxyphosphorylethyl)-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 139018639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).