3-dimethoxyphosphoryl-5-phenoxy-3H-2-benzofuran-1-one

C16H15O6P — CID 169220063

IUPAC3-dimethoxyphosphoryl-5-phenoxy-3H-2-benzofuran-1-one
SMILESCOP(=O)(OC)C1OC(=O)c2ccc(Oc3ccccc3)cc21
InChIInChI=1S/C16H15O6P/c1-19-23(18,20-2)16-14-10-12(8-9-13(14)15(17)22-16)21-11-6-4-3-5-7-11/h3-10,16H,1-2H3
InChIKeyUDDHNHXXORYOJT-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.13
Rot. Bonds5

About 3-dimethoxyphosphoryl-5-phenoxy-3H-2-benzofuran-1-one

3-dimethoxyphosphoryl-5-phenoxy-3H-2-benzofuran-1-one (PubChem CID 169220063) has the molecular formula C16H15O6P and a molecular weight of 334.26 g/mol. Its IUPAC name is 3-dimethoxyphosphoryl-5-phenoxy-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-dimethoxyphosphoryl-5-phenoxy-3H-2-benzofuran-1-one
PubChem CID169220063
Molecular FormulaC16H15O6P
Molecular Weight334.26 g/mol
Exact Mass334.06
IUPAC Name3-dimethoxyphosphoryl-5-phenoxy-3H-2-benzofuran-1-one
SMILESCOP(=O)(OC)C1OC(=O)c2ccc(Oc3ccccc3)cc21
InChIInChI=1S/C16H15O6P/c1-19-23(18,20-2)16-14-10-12(8-9-13(14)15(17)22-16)21-11-6-4-3-5-7-11/h3-10,16H,1-2H3
InChIKeyUDDHNHXXORYOJT-UHFFFAOYSA-N
XLogP4.13
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(cyclopropylmethoxy)-3-dimethoxyphosphoryl-3H-2-benzofuran-1-one
CID 169219924
CID 87204341
CID 87204341
3-di(propan-2-yloxy)phosphoryl-3H-2-benzofuran-1-one
CID 5256227
6-hydroxy-2-(3-phenoxyphenyl)-1-benzofuran-3-one
CID 160523053
5-methoxy-3-[(4-methoxyphenyl)methyl]-3H-2-benzofuran-1-one
CID 132915596
2-(2-hydroxyphenyl)-3-oxo-6-phenoxy-1H-isoindole-1-carbonitrile
CID 110449418
(3-oxo-1H-2-benzofuran-1-yl)phosphonic acid
CID 14644320
1-diethylphosphoryl-4-phenoxybenzene
CID 139885609
1,3,5-tris[4-(4-phenoxyphenoxy)phenoxy]benzene
CID 167430627
tris(4-phenoxyphenyl) phosphate
CID 70576220
3-hydroxy-4-methoxy-5-phenoxy-3H-2-benzofuran-1-one
CID 169219462
tripotassium;phenoxybenzene;phosphate
CID 160692134

Frequently Asked Questions

What is the IUPAC name of 3-dimethoxyphosphoryl-5-phenoxy-3H-2-benzofuran-1-one?
The IUPAC name of 3-dimethoxyphosphoryl-5-phenoxy-3H-2-benzofuran-1-one (CID 169220063) is 3-dimethoxyphosphoryl-5-phenoxy-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-dimethoxyphosphoryl-5-phenoxy-3H-2-benzofuran-1-one?
The canonical SMILES for 3-dimethoxyphosphoryl-5-phenoxy-3H-2-benzofuran-1-one is COP(=O)(OC)C1OC(=O)c2ccc(Oc3ccccc3)cc21.
What is the InChIKey of 3-dimethoxyphosphoryl-5-phenoxy-3H-2-benzofuran-1-one?
The InChIKey is UDDHNHXXORYOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15O6P/c1-19-23(18,20-2)16-14-10-12(8-9-13(14)15(17)22-16)21-11-6-4-3-5-7-11/h3-10,16H,1-2H3.
What are the key properties of 3-dimethoxyphosphoryl-5-phenoxy-3H-2-benzofuran-1-one?
3-dimethoxyphosphoryl-5-phenoxy-3H-2-benzofuran-1-one has a molecular weight of 334.26 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dimethoxyphosphoryl-5-phenoxy-3H-2-benzofuran-1-one is sourced from PubChem (CID 169220063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).