4-(diethoxyphosphorylmethyl)-2,6-dimethyl-1-benzofuran

C15H21O4P — CID 11738007

IUPAC4-(diethoxyphosphorylmethyl)-2,6-dimethyl-1-benzofuran
SMILESCCOP(=O)(Cc1cc(C)cc2oc(C)cc12)OCC
InChIInChI=1S/C15H21O4P/c1-5-17-20(16,18-6-2)10-13-7-11(3)8-15-14(13)9-12(4)19-15/h7-9H,5-6,10H2,1-4H3
InChIKeyICFHAHIUUKASEG-UHFFFAOYSA-N
MW296.30 g/mol
LogP4.82
Rot. Bonds6

About 4-(diethoxyphosphorylmethyl)-2,6-dimethyl-1-benzofuran

4-(diethoxyphosphorylmethyl)-2,6-dimethyl-1-benzofuran (PubChem CID 11738007) has the molecular formula C15H21O4P and a molecular weight of 296.30 g/mol. Its IUPAC name is 4-(diethoxyphosphorylmethyl)-2,6-dimethyl-1-benzofuran.

Molecular Properties

Compound Name4-(diethoxyphosphorylmethyl)-2,6-dimethyl-1-benzofuran
PubChem CID11738007
Molecular FormulaC15H21O4P
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name4-(diethoxyphosphorylmethyl)-2,6-dimethyl-1-benzofuran
SMILESCCOP(=O)(Cc1cc(C)cc2oc(C)cc12)OCC
InChIInChI=1S/C15H21O4P/c1-5-17-20(16,18-6-2)10-13-7-11(3)8-15-14(13)9-12(4)19-15/h7-9H,5-6,10H2,1-4H3
InChIKeyICFHAHIUUKASEG-UHFFFAOYSA-N
XLogP4.82
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 54.82
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 4-(diethoxyphosphorylmethyl)-2,6-dimethyl-1-benzofuran?
The IUPAC name of 4-(diethoxyphosphorylmethyl)-2,6-dimethyl-1-benzofuran (CID 11738007) is 4-(diethoxyphosphorylmethyl)-2,6-dimethyl-1-benzofuran.
What is the SMILES notation for 4-(diethoxyphosphorylmethyl)-2,6-dimethyl-1-benzofuran?
The canonical SMILES for 4-(diethoxyphosphorylmethyl)-2,6-dimethyl-1-benzofuran is CCOP(=O)(Cc1cc(C)cc2oc(C)cc12)OCC.
What is the InChIKey of 4-(diethoxyphosphorylmethyl)-2,6-dimethyl-1-benzofuran?
The InChIKey is ICFHAHIUUKASEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21O4P/c1-5-17-20(16,18-6-2)10-13-7-11(3)8-15-14(13)9-12(4)19-15/h7-9H,5-6,10H2,1-4H3.
What are the key properties of 4-(diethoxyphosphorylmethyl)-2,6-dimethyl-1-benzofuran?
4-(diethoxyphosphorylmethyl)-2,6-dimethyl-1-benzofuran has a molecular weight of 296.30 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethoxyphosphorylmethyl)-2,6-dimethyl-1-benzofuran is sourced from PubChem (CID 11738007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).