(2-methyl-1-benzofuran-3-yl)-dimorpholin-4-ylphosphane

C17H23N2O3P — CID 14942703

IUPAC(2-methyl-1-benzofuran-3-yl)-dimorpholin-4-ylphosphane
SMILESCc1oc2ccccc2c1P(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C17H23N2O3P/c1-14-17(15-4-2-3-5-16(15)22-14)23(18-6-10-20-11-7-18)19-8-12-21-13-9-19/h2-5H,6-13H2,1H3
InChIKeyLTBWXPCPUVVLCJ-UHFFFAOYSA-N
MW334.36 g/mol
LogP2.34
Rot. Bonds3

About (2-methyl-1-benzofuran-3-yl)-dimorpholin-4-ylphosphane

(2-methyl-1-benzofuran-3-yl)-dimorpholin-4-ylphosphane (PubChem CID 14942703) has the molecular formula C17H23N2O3P and a molecular weight of 334.36 g/mol. Its IUPAC name is (2-methyl-1-benzofuran-3-yl)-dimorpholin-4-ylphosphane.

Molecular Properties

Compound Name(2-methyl-1-benzofuran-3-yl)-dimorpholin-4-ylphosphane
PubChem CID14942703
Molecular FormulaC17H23N2O3P
Molecular Weight334.36 g/mol
Exact Mass334.14
IUPAC Name(2-methyl-1-benzofuran-3-yl)-dimorpholin-4-ylphosphane
SMILESCc1oc2ccccc2c1P(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C17H23N2O3P/c1-14-17(15-4-2-3-5-16(15)22-14)23(18-6-10-20-11-7-18)19-8-12-21-13-9-19/h2-5H,6-13H2,1H3
InChIKeyLTBWXPCPUVVLCJ-UHFFFAOYSA-N
XLogP2.34
TPSA38.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 52.34
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 (2-methyl-1-benzofuran-3-yl)-dimorpholin-4-ylphosphane?
The IUPAC name of (2-methyl-1-benzofuran-3-yl)-dimorpholin-4-ylphosphane (CID 14942703) is (2-methyl-1-benzofuran-3-yl)-dimorpholin-4-ylphosphane.
What is the SMILES notation for (2-methyl-1-benzofuran-3-yl)-dimorpholin-4-ylphosphane?
The canonical SMILES for (2-methyl-1-benzofuran-3-yl)-dimorpholin-4-ylphosphane is Cc1oc2ccccc2c1P(N1CCOCC1)N1CCOCC1.
What is the InChIKey of (2-methyl-1-benzofuran-3-yl)-dimorpholin-4-ylphosphane?
The InChIKey is LTBWXPCPUVVLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N2O3P/c1-14-17(15-4-2-3-5-16(15)22-14)23(18-6-10-20-11-7-18)19-8-12-21-13-9-19/h2-5H,6-13H2,1H3.
What are the key properties of (2-methyl-1-benzofuran-3-yl)-dimorpholin-4-ylphosphane?
(2-methyl-1-benzofuran-3-yl)-dimorpholin-4-ylphosphane has a molecular weight of 334.36 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1-benzofuran-3-yl)-dimorpholin-4-ylphosphane is sourced from PubChem (CID 14942703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).