[6-(2-methoxynaphthalen-1-yl)-7-methyl-1,3-dihydro-2-benzofuran-5-yl]oxy-diphenylphosphane

C32H27O3P — CID 70911302

IUPAC[6-(2-methoxynaphthalen-1-yl)-7-methyl-1,3-dihydro-2-benzofuran-5-yl]oxy-diphenylphosphane
SMILESCOc1ccc2ccccc2c1-c1c(OP(c2ccccc2)c2ccccc2)cc2c(c1C)COC2
InChIInChI=1S/C32H27O3P/c1-22-28-21-34-20-24(28)19-30(31(22)32-27-16-10-9-11-23(27)17-18-29(32)33-2)35-36(25-12-5-3-6-13-25)26-14-7-4-8-15-26/h3-19H,20-21H2,1-2H3
InChIKeyVAUGRRQAYVKCQT-UHFFFAOYSA-N
MW490.54 g/mol
LogP7.28
Rot. Bonds6

About [6-(2-methoxynaphthalen-1-yl)-7-methyl-1,3-dihydro-2-benzofuran-5-yl]oxy-diphenylphosphane

[6-(2-methoxynaphthalen-1-yl)-7-methyl-1,3-dihydro-2-benzofuran-5-yl]oxy-diphenylphosphane (PubChem CID 70911302) has the molecular formula C32H27O3P and a molecular weight of 490.54 g/mol. Its IUPAC name is [6-(2-methoxynaphthalen-1-yl)-7-methyl-1,3-dihydro-2-benzofuran-5-yl]oxy-diphenylphosphane.

Molecular Properties

Compound Name[6-(2-methoxynaphthalen-1-yl)-7-methyl-1,3-dihydro-2-benzofuran-5-yl]oxy-diphenylphosphane
PubChem CID70911302
Molecular FormulaC32H27O3P
Molecular Weight490.54 g/mol
Exact Mass490.17
IUPAC Name[6-(2-methoxynaphthalen-1-yl)-7-methyl-1,3-dihydro-2-benzofuran-5-yl]oxy-diphenylphosphane
SMILESCOc1ccc2ccccc2c1-c1c(OP(c2ccccc2)c2ccccc2)cc2c(c1C)COC2
InChIInChI=1S/C32H27O3P/c1-22-28-21-34-20-24(28)19-30(31(22)32-27-16-10-9-11-23(27)17-18-29(32)33-2)35-36(25-12-5-3-6-13-25)26-14-7-4-8-15-26/h3-19H,20-21H2,1-2H3
InChIKeyVAUGRRQAYVKCQT-UHFFFAOYSA-N
XLogP7.28
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.54
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2-methoxynaphthalen-1-yl)-7-methyl-1,3-dihydro-2-benzofuran-5-yl]oxy-diphenylphosphane?
The IUPAC name of [6-(2-methoxynaphthalen-1-yl)-7-methyl-1,3-dihydro-2-benzofuran-5-yl]oxy-diphenylphosphane (CID 70911302) is [6-(2-methoxynaphthalen-1-yl)-7-methyl-1,3-dihydro-2-benzofuran-5-yl]oxy-diphenylphosphane.
What is the SMILES notation for [6-(2-methoxynaphthalen-1-yl)-7-methyl-1,3-dihydro-2-benzofuran-5-yl]oxy-diphenylphosphane?
The canonical SMILES for [6-(2-methoxynaphthalen-1-yl)-7-methyl-1,3-dihydro-2-benzofuran-5-yl]oxy-diphenylphosphane is COc1ccc2ccccc2c1-c1c(OP(c2ccccc2)c2ccccc2)cc2c(c1C)COC2.
What is the InChIKey of [6-(2-methoxynaphthalen-1-yl)-7-methyl-1,3-dihydro-2-benzofuran-5-yl]oxy-diphenylphosphane?
The InChIKey is VAUGRRQAYVKCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27O3P/c1-22-28-21-34-20-24(28)19-30(31(22)32-27-16-10-9-11-23(27)17-18-29(32)33-2)35-36(25-12-5-3-6-13-25)26-14-7-4-8-15-26/h3-19H,20-21H2,1-2H3.
What are the key properties of [6-(2-methoxynaphthalen-1-yl)-7-methyl-1,3-dihydro-2-benzofuran-5-yl]oxy-diphenylphosphane?
[6-(2-methoxynaphthalen-1-yl)-7-methyl-1,3-dihydro-2-benzofuran-5-yl]oxy-diphenylphosphane has a molecular weight of 490.54 g/mol, XLogP of 7.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-methoxynaphthalen-1-yl)-7-methyl-1,3-dihydro-2-benzofuran-5-yl]oxy-diphenylphosphane is sourced from PubChem (CID 70911302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).