6-phenacyloxychromen-2-one

C17H12O4 — CID 127037717

IUPAC6-phenacyloxychromen-2-one
SMILESO=C(COc1ccc2oc(=O)ccc2c1)c1ccccc1
InChIInChI=1S/C17H12O4/c18-15(12-4-2-1-3-5-12)11-20-14-7-8-16-13(10-14)6-9-17(19)21-16/h1-10H,11H2
InChIKeyKONFIASLZXVIFX-UHFFFAOYSA-N
MW280.28 g/mol
LogP3.05
Rot. Bonds4

About 6-phenacyloxychromen-2-one

6-phenacyloxychromen-2-one (PubChem CID 127037717) has the molecular formula C17H12O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is 6-phenacyloxychromen-2-one.

Molecular Properties

Compound Name6-phenacyloxychromen-2-one
PubChem CID127037717
Molecular FormulaC17H12O4
Molecular Weight280.28 g/mol
Exact Mass280.07
IUPAC Name6-phenacyloxychromen-2-one
SMILESO=C(COc1ccc2oc(=O)ccc2c1)c1ccccc1
InChIInChI=1S/C17H12O4/c18-15(12-4-2-1-3-5-12)11-20-14-7-8-16-13(10-14)6-9-17(19)21-16/h1-10H,11H2
InChIKeyKONFIASLZXVIFX-UHFFFAOYSA-N
XLogP3.05
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[2-oxo-2-(4-phenylphenyl)ethoxy]chromen-2-one
CID 127037718
6-(2-oxopropoxy)chromen-2-one
CID 58420964
7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one
CID 2292760
6-(2-oxobutoxy)chromen-2-one
CID 90326922
6-phenylmethoxychromen-2-one
CID 59816113
7-[2-oxo-2-(4-propan-2-ylphenyl)ethoxy]chromen-2-one
CID 7565097
6-(2-hydroxyethoxy)chromen-2-one
CID 89388659
2-(4-phenacyloxyphenoxy)-1-phenylethanone
CID 962120
2,2-dimethyl-N-[4-[2-(2-oxochromen-7-yl)oxyacetyl]phenyl]propanamide
CID 7432101
4-methyl-7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one
CID 882295
methoxymethane;2-(2-oxochromen-6-yl)oxyacetic acid;2-(2-oxochromen-6-yl)oxyacetyl chloride;6-(2-oxopropoxy)chromen-2-one;thionyl dichloride
CID 162086653
7-[2-[2-(difluoromethoxy)phenyl]-2-oxoethoxy]chromen-2-one
CID 134025264

Frequently Asked Questions

What is the IUPAC name of 6-phenacyloxychromen-2-one?
The IUPAC name of 6-phenacyloxychromen-2-one (CID 127037717) is 6-phenacyloxychromen-2-one.
What is the SMILES notation for 6-phenacyloxychromen-2-one?
The canonical SMILES for 6-phenacyloxychromen-2-one is O=C(COc1ccc2oc(=O)ccc2c1)c1ccccc1.
What is the InChIKey of 6-phenacyloxychromen-2-one?
The InChIKey is KONFIASLZXVIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O4/c18-15(12-4-2-1-3-5-12)11-20-14-7-8-16-13(10-14)6-9-17(19)21-16/h1-10H,11H2.
What are the key properties of 6-phenacyloxychromen-2-one?
6-phenacyloxychromen-2-one has a molecular weight of 280.28 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenacyloxychromen-2-one is sourced from PubChem (CID 127037717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).