4-methyl-7-(2-oxo-1,2-diphenylethoxy)chromen-2-one

C24H18O4 — CID 2955979

IUPAC4-methyl-7-(2-oxo-1,2-diphenylethoxy)chromen-2-one
SMILESCc1cc(=O)oc2cc(OC(C(=O)c3ccccc3)c3ccccc3)ccc12
InChIInChI=1S/C24H18O4/c1-16-14-22(25)28-21-15-19(12-13-20(16)21)27-24(18-10-6-3-7-11-18)23(26)17-8-4-2-5-9-17/h2-15,24H,1H3
InChIKeyXLGCNYXFXGFCDE-UHFFFAOYSA-N
MW370.40 g/mol
LogP5.10
Rot. Bonds5

About 4-methyl-7-(2-oxo-1,2-diphenylethoxy)chromen-2-one

4-methyl-7-(2-oxo-1,2-diphenylethoxy)chromen-2-one (PubChem CID 2955979) has the molecular formula C24H18O4 and a molecular weight of 370.40 g/mol. Its IUPAC name is 4-methyl-7-(2-oxo-1,2-diphenylethoxy)chromen-2-one.

Molecular Properties

Compound Name4-methyl-7-(2-oxo-1,2-diphenylethoxy)chromen-2-one
PubChem CID2955979
Molecular FormulaC24H18O4
Molecular Weight370.40 g/mol
Exact Mass370.12
IUPAC Name4-methyl-7-(2-oxo-1,2-diphenylethoxy)chromen-2-one
SMILESCc1cc(=O)oc2cc(OC(C(=O)c3ccccc3)c3ccccc3)ccc12
InChIInChI=1S/C24H18O4/c1-16-14-22(25)28-21-15-19(12-13-20(16)21)27-24(18-10-6-3-7-11-18)23(26)17-8-4-2-5-9-17/h2-15,24H,1H3
InChIKeyXLGCNYXFXGFCDE-UHFFFAOYSA-N
XLogP5.10
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.40
LogP ≤ 55.10
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

(2R)-2-(4-methyl-2-oxochromen-7-yl)oxy-2-phenylacetic acid
CID 855004
4-methyl-7-[(2R)-1-oxo-1-phenylbutan-2-yl]oxychromen-2-one
CID 907685
7-benzhydryloxy-4-methylchromen-2-one
CID 59603173
(4-methyl-2-oxochromen-7-yl) 2,2-diphenylacetate
CID 983535
7-(2-fluoro-1-phenylethoxy)-4-methylchromen-2-one
CID 164804491
2-(4-methyl-2-oxochromen-7-yl)oxypropanoic acid
CID 2787139
7-[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one
CID 7967902
ethyl (2S)-2-(2-oxo-4-phenylchromen-7-yl)oxy-2-phenylacetate
CID 2277249
2-(4-methyl-2-oxochromen-7-yl)oxybutanoic acid
CID 5006942
(2R)-2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-2-phenylacetic acid
CID 906268
2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-2-phenylacetic acid
CID 3782124
(4-methyl-2-oxochromen-7-yl) 2-methylpropanoate
CID 728527

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-(2-oxo-1,2-diphenylethoxy)chromen-2-one?
The IUPAC name of 4-methyl-7-(2-oxo-1,2-diphenylethoxy)chromen-2-one (CID 2955979) is 4-methyl-7-(2-oxo-1,2-diphenylethoxy)chromen-2-one.
What is the SMILES notation for 4-methyl-7-(2-oxo-1,2-diphenylethoxy)chromen-2-one?
The canonical SMILES for 4-methyl-7-(2-oxo-1,2-diphenylethoxy)chromen-2-one is Cc1cc(=O)oc2cc(OC(C(=O)c3ccccc3)c3ccccc3)ccc12.
What is the InChIKey of 4-methyl-7-(2-oxo-1,2-diphenylethoxy)chromen-2-one?
The InChIKey is XLGCNYXFXGFCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O4/c1-16-14-22(25)28-21-15-19(12-13-20(16)21)27-24(18-10-6-3-7-11-18)23(26)17-8-4-2-5-9-17/h2-15,24H,1H3.
What are the key properties of 4-methyl-7-(2-oxo-1,2-diphenylethoxy)chromen-2-one?
4-methyl-7-(2-oxo-1,2-diphenylethoxy)chromen-2-one has a molecular weight of 370.40 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-(2-oxo-1,2-diphenylethoxy)chromen-2-one is sourced from PubChem (CID 2955979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).