3-[2-hydroxyethyl(methyl)amino]-3-phenyl-1-benzofuran-2-one

C17H17NO3 — CID 13001542

IUPAC3-[2-hydroxyethyl(methyl)amino]-3-phenyl-1-benzofuran-2-one
SMILESCN(CCO)C1(c2ccccc2)C(=O)Oc2ccccc21
InChIInChI=1S/C17H17NO3/c1-18(11-12-19)17(13-7-3-2-4-8-13)14-9-5-6-10-15(14)21-16(17)20/h2-10,19H,11-12H2,1H3
InChIKeyNOEPXRZDFDEBPA-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.77
Rot. Bonds4

About 3-[2-hydroxyethyl(methyl)amino]-3-phenyl-1-benzofuran-2-one

3-[2-hydroxyethyl(methyl)amino]-3-phenyl-1-benzofuran-2-one (PubChem CID 13001542) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-[2-hydroxyethyl(methyl)amino]-3-phenyl-1-benzofuran-2-one.

Molecular Properties

Compound Name3-[2-hydroxyethyl(methyl)amino]-3-phenyl-1-benzofuran-2-one
PubChem CID13001542
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name3-[2-hydroxyethyl(methyl)amino]-3-phenyl-1-benzofuran-2-one
SMILESCN(CCO)C1(c2ccccc2)C(=O)Oc2ccccc21
InChIInChI=1S/C17H17NO3/c1-18(11-12-19)17(13-7-3-2-4-8-13)14-9-5-6-10-15(14)21-16(17)20/h2-10,19H,11-12H2,1H3
InChIKeyNOEPXRZDFDEBPA-UHFFFAOYSA-N
XLogP1.77
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxyethyl(methyl)amino]-3-phenyl-1-benzofuran-2-one?
The IUPAC name of 3-[2-hydroxyethyl(methyl)amino]-3-phenyl-1-benzofuran-2-one (CID 13001542) is 3-[2-hydroxyethyl(methyl)amino]-3-phenyl-1-benzofuran-2-one.
What is the SMILES notation for 3-[2-hydroxyethyl(methyl)amino]-3-phenyl-1-benzofuran-2-one?
The canonical SMILES for 3-[2-hydroxyethyl(methyl)amino]-3-phenyl-1-benzofuran-2-one is CN(CCO)C1(c2ccccc2)C(=O)Oc2ccccc21.
What is the InChIKey of 3-[2-hydroxyethyl(methyl)amino]-3-phenyl-1-benzofuran-2-one?
The InChIKey is NOEPXRZDFDEBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-18(11-12-19)17(13-7-3-2-4-8-13)14-9-5-6-10-15(14)21-16(17)20/h2-10,19H,11-12H2,1H3.
What are the key properties of 3-[2-hydroxyethyl(methyl)amino]-3-phenyl-1-benzofuran-2-one?
3-[2-hydroxyethyl(methyl)amino]-3-phenyl-1-benzofuran-2-one has a molecular weight of 283.33 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxyethyl(methyl)amino]-3-phenyl-1-benzofuran-2-one is sourced from PubChem (CID 13001542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).