6-diethoxyphosphoryl-5-(2-methoxynaphthalen-1-yl)-4-methyl-1,3-dihydro-2-benzofuran

C24H27O5P — CID 59216878

IUPAC6-diethoxyphosphoryl-5-(2-methoxynaphthalen-1-yl)-4-methyl-1,3-dihydro-2-benzofuran
SMILESCCOP(=O)(OCC)c1cc2c(c(C)c1-c1c(OC)ccc3ccccc13)COC2
InChIInChI=1S/C24H27O5P/c1-5-28-30(25,29-6-2)22-13-18-14-27-15-20(18)16(3)23(22)24-19-10-8-7-9-17(19)11-12-21(24)26-4/h7-13H,5-6,14-15H2,1-4H3
InChIKeyGXDJHGZHBKSJTN-UHFFFAOYSA-N
MW426.45 g/mol
LogP5.75
Rot. Bonds7

About 6-diethoxyphosphoryl-5-(2-methoxynaphthalen-1-yl)-4-methyl-1,3-dihydro-2-benzofuran

6-diethoxyphosphoryl-5-(2-methoxynaphthalen-1-yl)-4-methyl-1,3-dihydro-2-benzofuran (PubChem CID 59216878) has the molecular formula C24H27O5P and a molecular weight of 426.45 g/mol. Its IUPAC name is 6-diethoxyphosphoryl-5-(2-methoxynaphthalen-1-yl)-4-methyl-1,3-dihydro-2-benzofuran.

Molecular Properties

Compound Name6-diethoxyphosphoryl-5-(2-methoxynaphthalen-1-yl)-4-methyl-1,3-dihydro-2-benzofuran
PubChem CID59216878
Molecular FormulaC24H27O5P
Molecular Weight426.45 g/mol
Exact Mass426.16
IUPAC Name6-diethoxyphosphoryl-5-(2-methoxynaphthalen-1-yl)-4-methyl-1,3-dihydro-2-benzofuran
SMILESCCOP(=O)(OCC)c1cc2c(c(C)c1-c1c(OC)ccc3ccccc13)COC2
InChIInChI=1S/C24H27O5P/c1-5-28-30(25,29-6-2)22-13-18-14-27-15-20(18)16(3)23(22)24-19-10-8-7-9-17(19)11-12-21(24)26-4/h7-13H,5-6,14-15H2,1-4H3
InChIKeyGXDJHGZHBKSJTN-UHFFFAOYSA-N
XLogP5.75
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.45
LogP ≤ 55.75
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 6-diethoxyphosphoryl-5-(2-methoxynaphthalen-1-yl)-4-methyl-1,3-dihydro-2-benzofuran?
The IUPAC name of 6-diethoxyphosphoryl-5-(2-methoxynaphthalen-1-yl)-4-methyl-1,3-dihydro-2-benzofuran (CID 59216878) is 6-diethoxyphosphoryl-5-(2-methoxynaphthalen-1-yl)-4-methyl-1,3-dihydro-2-benzofuran.
What is the SMILES notation for 6-diethoxyphosphoryl-5-(2-methoxynaphthalen-1-yl)-4-methyl-1,3-dihydro-2-benzofuran?
The canonical SMILES for 6-diethoxyphosphoryl-5-(2-methoxynaphthalen-1-yl)-4-methyl-1,3-dihydro-2-benzofuran is CCOP(=O)(OCC)c1cc2c(c(C)c1-c1c(OC)ccc3ccccc13)COC2.
What is the InChIKey of 6-diethoxyphosphoryl-5-(2-methoxynaphthalen-1-yl)-4-methyl-1,3-dihydro-2-benzofuran?
The InChIKey is GXDJHGZHBKSJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27O5P/c1-5-28-30(25,29-6-2)22-13-18-14-27-15-20(18)16(3)23(22)24-19-10-8-7-9-17(19)11-12-21(24)26-4/h7-13H,5-6,14-15H2,1-4H3.
What are the key properties of 6-diethoxyphosphoryl-5-(2-methoxynaphthalen-1-yl)-4-methyl-1,3-dihydro-2-benzofuran?
6-diethoxyphosphoryl-5-(2-methoxynaphthalen-1-yl)-4-methyl-1,3-dihydro-2-benzofuran has a molecular weight of 426.45 g/mol, XLogP of 5.75, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-diethoxyphosphoryl-5-(2-methoxynaphthalen-1-yl)-4-methyl-1,3-dihydro-2-benzofuran is sourced from PubChem (CID 59216878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).