4-methyl-7-[(2R)-1-oxo-1-phenylbutan-2-yl]oxychromen-2-one

C20H18O4 — CID 907685

IUPAC4-methyl-7-[(2R)-1-oxo-1-phenylbutan-2-yl]oxychromen-2-one
SMILESCC[C@@H](Oc1ccc2c(C)cc(=O)oc2c1)C(=O)c1ccccc1
InChIInChI=1S/C20H18O4/c1-3-17(20(22)14-7-5-4-6-8-14)23-15-9-10-16-13(2)11-19(21)24-18(16)12-15/h4-12,17H,3H2,1-2H3/t17-/m1/s1
InChIKeyMBMUYZNCTXYWPW-QGZVFWFLSA-N
MW322.36 g/mol
LogP4.14
Rot. Bonds5

About 4-methyl-7-[(2R)-1-oxo-1-phenylbutan-2-yl]oxychromen-2-one

4-methyl-7-[(2R)-1-oxo-1-phenylbutan-2-yl]oxychromen-2-one (PubChem CID 907685) has the molecular formula C20H18O4 and a molecular weight of 322.36 g/mol. Its IUPAC name is 4-methyl-7-[(2R)-1-oxo-1-phenylbutan-2-yl]oxychromen-2-one.

Molecular Properties

Compound Name4-methyl-7-[(2R)-1-oxo-1-phenylbutan-2-yl]oxychromen-2-one
PubChem CID907685
Molecular FormulaC20H18O4
Molecular Weight322.36 g/mol
Exact Mass322.12
IUPAC Name4-methyl-7-[(2R)-1-oxo-1-phenylbutan-2-yl]oxychromen-2-one
SMILESCC[C@@H](Oc1ccc2c(C)cc(=O)oc2c1)C(=O)c1ccccc1
InChIInChI=1S/C20H18O4/c1-3-17(20(22)14-7-5-4-6-8-14)23-15-9-10-16-13(2)11-19(21)24-18(16)12-15/h4-12,17H,3H2,1-2H3/t17-/m1/s1
InChIKeyMBMUYZNCTXYWPW-QGZVFWFLSA-N
XLogP4.14
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.14
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

2-(4-methyl-2-oxochromen-7-yl)oxybutanoic acid
CID 5006942
4-methyl-7-(2-oxo-1,2-diphenylethoxy)chromen-2-one
CID 2955979
2-(3,4-dimethylphenoxy)-1-phenylbutan-1-one
CID 43799872
7-benzhydryloxy-4-methylchromen-2-one
CID 59603173
(2R)-2-(4-methyl-2-oxochromen-7-yl)oxy-2-phenylacetic acid
CID 855004
2-(4-methyl-2-oxochromen-7-yl)oxypropanoic acid
CID 2787139
(4-methyl-2-oxochromen-7-yl) 2,2-diphenylacetate
CID 983535
7-(2-fluoro-1-phenylethoxy)-4-methylchromen-2-one
CID 164804491
4-methyl-7-(3-oxopentan-2-yloxy)chromen-2-one
CID 64866959
7-[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one
CID 7967902
[1-(benzylamino)-1-oxobutan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 24557428
4-methyl-7-phenylmethoxychromen-2-one
CID 728520

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-[(2R)-1-oxo-1-phenylbutan-2-yl]oxychromen-2-one?
The IUPAC name of 4-methyl-7-[(2R)-1-oxo-1-phenylbutan-2-yl]oxychromen-2-one (CID 907685) is 4-methyl-7-[(2R)-1-oxo-1-phenylbutan-2-yl]oxychromen-2-one.
What is the SMILES notation for 4-methyl-7-[(2R)-1-oxo-1-phenylbutan-2-yl]oxychromen-2-one?
The canonical SMILES for 4-methyl-7-[(2R)-1-oxo-1-phenylbutan-2-yl]oxychromen-2-one is CC[C@@H](Oc1ccc2c(C)cc(=O)oc2c1)C(=O)c1ccccc1.
What is the InChIKey of 4-methyl-7-[(2R)-1-oxo-1-phenylbutan-2-yl]oxychromen-2-one?
The InChIKey is MBMUYZNCTXYWPW-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H18O4/c1-3-17(20(22)14-7-5-4-6-8-14)23-15-9-10-16-13(2)11-19(21)24-18(16)12-15/h4-12,17H,3H2,1-2H3/t17-/m1/s1.
What are the key properties of 4-methyl-7-[(2R)-1-oxo-1-phenylbutan-2-yl]oxychromen-2-one?
4-methyl-7-[(2R)-1-oxo-1-phenylbutan-2-yl]oxychromen-2-one has a molecular weight of 322.36 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-[(2R)-1-oxo-1-phenylbutan-2-yl]oxychromen-2-one is sourced from PubChem (CID 907685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).