3-(2-hydroxyacetyl)-2-phenyl-2,3-dihydrochromen-4-one

C17H14O4 — CID 174476724

IUPAC3-(2-hydroxyacetyl)-2-phenyl-2,3-dihydrochromen-4-one
SMILESO=C(CO)C1C(=O)c2ccccc2OC1c1ccccc1
InChIInChI=1S/C17H14O4/c18-10-13(19)15-16(20)12-8-4-5-9-14(12)21-17(15)11-6-2-1-3-7-11/h1-9,15,17-18H,10H2
InChIKeyXOKPJSYAWWLPDE-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.18
Rot. Bonds3

About 3-(2-hydroxyacetyl)-2-phenyl-2,3-dihydrochromen-4-one

3-(2-hydroxyacetyl)-2-phenyl-2,3-dihydrochromen-4-one (PubChem CID 174476724) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-(2-hydroxyacetyl)-2-phenyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name3-(2-hydroxyacetyl)-2-phenyl-2,3-dihydrochromen-4-one
PubChem CID174476724
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Name3-(2-hydroxyacetyl)-2-phenyl-2,3-dihydrochromen-4-one
SMILESO=C(CO)C1C(=O)c2ccccc2OC1c1ccccc1
InChIInChI=1S/C17H14O4/c18-10-13(19)15-16(20)12-8-4-5-9-14(12)21-17(15)11-6-2-1-3-7-11/h1-9,15,17-18H,10H2
InChIKeyXOKPJSYAWWLPDE-UHFFFAOYSA-N
XLogP2.18
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyacetyl)-2-phenyl-2,3-dihydrochromen-4-one?
The IUPAC name of 3-(2-hydroxyacetyl)-2-phenyl-2,3-dihydrochromen-4-one (CID 174476724) is 3-(2-hydroxyacetyl)-2-phenyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 3-(2-hydroxyacetyl)-2-phenyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 3-(2-hydroxyacetyl)-2-phenyl-2,3-dihydrochromen-4-one is O=C(CO)C1C(=O)c2ccccc2OC1c1ccccc1.
What is the InChIKey of 3-(2-hydroxyacetyl)-2-phenyl-2,3-dihydrochromen-4-one?
The InChIKey is XOKPJSYAWWLPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c18-10-13(19)15-16(20)12-8-4-5-9-14(12)21-17(15)11-6-2-1-3-7-11/h1-9,15,17-18H,10H2.
What are the key properties of 3-(2-hydroxyacetyl)-2-phenyl-2,3-dihydrochromen-4-one?
3-(2-hydroxyacetyl)-2-phenyl-2,3-dihydrochromen-4-one has a molecular weight of 282.30 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyacetyl)-2-phenyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 174476724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).