2-[4-(diethoxyphosphorylmethyl)phenyl]-5-fluoro-1-benzofuran

C19H20FO4P — CID 14970263

IUPAC2-[4-(diethoxyphosphorylmethyl)phenyl]-5-fluoro-1-benzofuran
SMILESCCOP(=O)(Cc1ccc(-c2cc3cc(F)ccc3o2)cc1)OCC
InChIInChI=1S/C19H20FO4P/c1-3-22-25(21,23-4-2)13-14-5-7-15(8-6-14)19-12-16-11-17(20)9-10-18(16)24-19/h5-12H,3-4,13H2,1-2H3
InChIKeyUGHCPBPVKGTIKZ-UHFFFAOYSA-N
MW362.34 g/mol
LogP6.01
Rot. Bonds7

About 2-[4-(diethoxyphosphorylmethyl)phenyl]-5-fluoro-1-benzofuran

2-[4-(diethoxyphosphorylmethyl)phenyl]-5-fluoro-1-benzofuran (PubChem CID 14970263) has the molecular formula C19H20FO4P and a molecular weight of 362.34 g/mol. Its IUPAC name is 2-[4-(diethoxyphosphorylmethyl)phenyl]-5-fluoro-1-benzofuran.

Molecular Properties

Compound Name2-[4-(diethoxyphosphorylmethyl)phenyl]-5-fluoro-1-benzofuran
PubChem CID14970263
Molecular FormulaC19H20FO4P
Molecular Weight362.34 g/mol
Exact Mass362.11
IUPAC Name2-[4-(diethoxyphosphorylmethyl)phenyl]-5-fluoro-1-benzofuran
SMILESCCOP(=O)(Cc1ccc(-c2cc3cc(F)ccc3o2)cc1)OCC
InChIInChI=1S/C19H20FO4P/c1-3-22-25(21,23-4-2)13-14-5-7-15(8-6-14)19-12-16-11-17(20)9-10-18(16)24-19/h5-12H,3-4,13H2,1-2H3
InChIKeyUGHCPBPVKGTIKZ-UHFFFAOYSA-N
XLogP6.01
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.34
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethoxyphosphorylmethyl)phenyl]-5-fluoro-1-benzofuran?
The IUPAC name of 2-[4-(diethoxyphosphorylmethyl)phenyl]-5-fluoro-1-benzofuran (CID 14970263) is 2-[4-(diethoxyphosphorylmethyl)phenyl]-5-fluoro-1-benzofuran.
What is the SMILES notation for 2-[4-(diethoxyphosphorylmethyl)phenyl]-5-fluoro-1-benzofuran?
The canonical SMILES for 2-[4-(diethoxyphosphorylmethyl)phenyl]-5-fluoro-1-benzofuran is CCOP(=O)(Cc1ccc(-c2cc3cc(F)ccc3o2)cc1)OCC.
What is the InChIKey of 2-[4-(diethoxyphosphorylmethyl)phenyl]-5-fluoro-1-benzofuran?
The InChIKey is UGHCPBPVKGTIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FO4P/c1-3-22-25(21,23-4-2)13-14-5-7-15(8-6-14)19-12-16-11-17(20)9-10-18(16)24-19/h5-12H,3-4,13H2,1-2H3.
What are the key properties of 2-[4-(diethoxyphosphorylmethyl)phenyl]-5-fluoro-1-benzofuran?
2-[4-(diethoxyphosphorylmethyl)phenyl]-5-fluoro-1-benzofuran has a molecular weight of 362.34 g/mol, XLogP of 6.01, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethoxyphosphorylmethyl)phenyl]-5-fluoro-1-benzofuran is sourced from PubChem (CID 14970263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).