(3-methyl-1-benzofuran-2-yl)oxy-diphenylphosphane

C21H17O2P — CID 167440376

IUPAC(3-methyl-1-benzofuran-2-yl)oxy-diphenylphosphane
SMILESCc1c(OP(c2ccccc2)c2ccccc2)oc2ccccc12
InChIInChI=1S/C21H17O2P/c1-16-19-14-8-9-15-20(19)22-21(16)23-24(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15H,1H3
InChIKeySLDONNXENTVFTO-UHFFFAOYSA-N
MW332.34 g/mol
LogP5.17
Rot. Bonds4

About (3-methyl-1-benzofuran-2-yl)oxy-diphenylphosphane

(3-methyl-1-benzofuran-2-yl)oxy-diphenylphosphane (PubChem CID 167440376) has the molecular formula C21H17O2P and a molecular weight of 332.34 g/mol. Its IUPAC name is (3-methyl-1-benzofuran-2-yl)oxy-diphenylphosphane.

Molecular Properties

Compound Name(3-methyl-1-benzofuran-2-yl)oxy-diphenylphosphane
PubChem CID167440376
Molecular FormulaC21H17O2P
Molecular Weight332.34 g/mol
Exact Mass332.10
IUPAC Name(3-methyl-1-benzofuran-2-yl)oxy-diphenylphosphane
SMILESCc1c(OP(c2ccccc2)c2ccccc2)oc2ccccc12
InChIInChI=1S/C21H17O2P/c1-16-19-14-8-9-15-20(19)22-21(16)23-24(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15H,1H3
InChIKeySLDONNXENTVFTO-UHFFFAOYSA-N
XLogP5.17
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.34
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-bromodibenzofuran-2-yl)oxy-diphenylphosphane
CID 141477714
2,3-dimethyl-1-benzofuran;ethane
CID 142047308
2-fluoro-3-methyl-1-benzofuran
CID 45090481
3-methyl-1-benzofuran-2-carboxylic acid
CID 600591
3-methyl-2-(2,3,4,5,6-pentafluorophenyl)-1-benzofuran
CID 51050774
(3-methyl-1-benzofuran-2-yl) (1,1,1-trichloro-2-methylpropan-2-yl) carbonate
CID 177437433
2-(3-methyl-1-benzofuran-2-yl)propan-2-ol
CID 116987203
1-methylfuro[2,3-b][1]benzofuran-2-amine
CID 130322179
3-methyl-2-naphthalen-2-yl-1-benzofuran
CID 54024232
N,4-dimethyl-3-phenylchromen-2-imine
CID 101413189
dibenzofuran;hydrate
CID 70610865
dibenzofuran;hydrofluoride
CID 158307405

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1-benzofuran-2-yl)oxy-diphenylphosphane?
The IUPAC name of (3-methyl-1-benzofuran-2-yl)oxy-diphenylphosphane (CID 167440376) is (3-methyl-1-benzofuran-2-yl)oxy-diphenylphosphane.
What is the SMILES notation for (3-methyl-1-benzofuran-2-yl)oxy-diphenylphosphane?
The canonical SMILES for (3-methyl-1-benzofuran-2-yl)oxy-diphenylphosphane is Cc1c(OP(c2ccccc2)c2ccccc2)oc2ccccc12.
What is the InChIKey of (3-methyl-1-benzofuran-2-yl)oxy-diphenylphosphane?
The InChIKey is SLDONNXENTVFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17O2P/c1-16-19-14-8-9-15-20(19)22-21(16)23-24(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15H,1H3.
What are the key properties of (3-methyl-1-benzofuran-2-yl)oxy-diphenylphosphane?
(3-methyl-1-benzofuran-2-yl)oxy-diphenylphosphane has a molecular weight of 332.34 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1-benzofuran-2-yl)oxy-diphenylphosphane is sourced from PubChem (CID 167440376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).