6-[2-oxo-2-(4-phenylphenyl)ethoxy]chromen-2-one

C23H16O4 — CID 127037718

IUPAC6-[2-oxo-2-(4-phenylphenyl)ethoxy]chromen-2-one
SMILESO=C(COc1ccc2oc(=O)ccc2c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H16O4/c24-21(18-8-6-17(7-9-18)16-4-2-1-3-5-16)15-26-20-11-12-22-19(14-20)10-13-23(25)27-22/h1-14H,15H2
InChIKeyGOLXKZUFPFOFLH-UHFFFAOYSA-N
MW356.38 g/mol
LogP4.72
Rot. Bonds5

About 6-[2-oxo-2-(4-phenylphenyl)ethoxy]chromen-2-one

6-[2-oxo-2-(4-phenylphenyl)ethoxy]chromen-2-one (PubChem CID 127037718) has the molecular formula C23H16O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 6-[2-oxo-2-(4-phenylphenyl)ethoxy]chromen-2-one.

Molecular Properties

Compound Name6-[2-oxo-2-(4-phenylphenyl)ethoxy]chromen-2-one
PubChem CID127037718
Molecular FormulaC23H16O4
Molecular Weight356.38 g/mol
Exact Mass356.10
IUPAC Name6-[2-oxo-2-(4-phenylphenyl)ethoxy]chromen-2-one
SMILESO=C(COc1ccc2oc(=O)ccc2c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H16O4/c24-21(18-8-6-17(7-9-18)16-4-2-1-3-5-16)15-26-20-11-12-22-19(14-20)10-13-23(25)27-22/h1-14H,15H2
InChIKeyGOLXKZUFPFOFLH-UHFFFAOYSA-N
XLogP4.72
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 54.72
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-phenacyloxychromen-2-one
CID 127037717
7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one
CID 2292760
6-(2-oxopropoxy)chromen-2-one
CID 58420964
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
1-(4-bromophenyl)-2-(4-phenylphenoxy)ethanone
CID 4309178
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
2-(4-phenacyloxyphenoxy)-1-phenylethanone
CID 962120
N'-(2-naphthalen-2-yloxyacetyl)-2-(4-phenylphenoxy)acetohydrazide
CID 4512962

Frequently Asked Questions

What is the IUPAC name of 6-[2-oxo-2-(4-phenylphenyl)ethoxy]chromen-2-one?
The IUPAC name of 6-[2-oxo-2-(4-phenylphenyl)ethoxy]chromen-2-one (CID 127037718) is 6-[2-oxo-2-(4-phenylphenyl)ethoxy]chromen-2-one.
What is the SMILES notation for 6-[2-oxo-2-(4-phenylphenyl)ethoxy]chromen-2-one?
The canonical SMILES for 6-[2-oxo-2-(4-phenylphenyl)ethoxy]chromen-2-one is O=C(COc1ccc2oc(=O)ccc2c1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 6-[2-oxo-2-(4-phenylphenyl)ethoxy]chromen-2-one?
The InChIKey is GOLXKZUFPFOFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16O4/c24-21(18-8-6-17(7-9-18)16-4-2-1-3-5-16)15-26-20-11-12-22-19(14-20)10-13-23(25)27-22/h1-14H,15H2.
What are the key properties of 6-[2-oxo-2-(4-phenylphenyl)ethoxy]chromen-2-one?
6-[2-oxo-2-(4-phenylphenyl)ethoxy]chromen-2-one has a molecular weight of 356.38 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-oxo-2-(4-phenylphenyl)ethoxy]chromen-2-one is sourced from PubChem (CID 127037718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).