(4-methyl-2-oxochromen-7-yl) 2,2-diphenylacetate

C24H18O4 — CID 983535

IUPAC(4-methyl-2-oxochromen-7-yl) 2,2-diphenylacetate
SMILESCc1cc(=O)oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc12
InChIInChI=1S/C24H18O4/c1-16-14-22(25)28-21-15-19(12-13-20(16)21)27-24(26)23(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,23H,1H3
InChIKeyRLGNILMIMTUEQG-UHFFFAOYSA-N
MW370.40 g/mol
LogP4.84
Rot. Bonds4

About (4-methyl-2-oxochromen-7-yl) 2,2-diphenylacetate

(4-methyl-2-oxochromen-7-yl) 2,2-diphenylacetate (PubChem CID 983535) has the molecular formula C24H18O4 and a molecular weight of 370.40 g/mol. Its IUPAC name is (4-methyl-2-oxochromen-7-yl) 2,2-diphenylacetate.

Molecular Properties

Compound Name(4-methyl-2-oxochromen-7-yl) 2,2-diphenylacetate
PubChem CID983535
Molecular FormulaC24H18O4
Molecular Weight370.40 g/mol
Exact Mass370.12
IUPAC Name(4-methyl-2-oxochromen-7-yl) 2,2-diphenylacetate
SMILESCc1cc(=O)oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc12
InChIInChI=1S/C24H18O4/c1-16-14-22(25)28-21-15-19(12-13-20(16)21)27-24(26)23(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,23H,1H3
InChIKeyRLGNILMIMTUEQG-UHFFFAOYSA-N
XLogP4.84
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-methyl-2-oxochromen-7-yl) 2-methylpropanoate
CID 728527
7-benzhydryloxy-4-methylchromen-2-one
CID 59603173
4-methyl-7-(2-oxo-1,2-diphenylethoxy)chromen-2-one
CID 2955979
(2R)-2-(4-methyl-2-oxochromen-7-yl)oxy-2-phenylacetic acid
CID 855004
7-(2-fluoro-1-phenylethoxy)-4-methylchromen-2-one
CID 164804491
(4-methyl-2-oxochromen-7-yl) 3-aminopropanoate chloride
CID 21180090
(4-methyl-2-oxochromen-7-yl) 2-chlorobenzoate
CID 802470
2-(4-methyl-2-oxochromen-7-yl)oxypropanoic acid
CID 2787139
4-methyl-7-[(2R)-1-oxo-1-phenylbutan-2-yl]oxychromen-2-one
CID 907685
2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-2-phenylacetic acid
CID 3782124
(4-methyl-2-oxochromen-7-yl) (3R)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 2408157
(4-methyl-2-oxochromen-7-yl) 2-(2-chloroanilino)acetate
CID 54771855

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-oxochromen-7-yl) 2,2-diphenylacetate?
The IUPAC name of (4-methyl-2-oxochromen-7-yl) 2,2-diphenylacetate (CID 983535) is (4-methyl-2-oxochromen-7-yl) 2,2-diphenylacetate.
What is the SMILES notation for (4-methyl-2-oxochromen-7-yl) 2,2-diphenylacetate?
The canonical SMILES for (4-methyl-2-oxochromen-7-yl) 2,2-diphenylacetate is Cc1cc(=O)oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc12.
What is the InChIKey of (4-methyl-2-oxochromen-7-yl) 2,2-diphenylacetate?
The InChIKey is RLGNILMIMTUEQG-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(26)23(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,23H,1H3.
What are the key properties of (4-methyl-2-oxochromen-7-yl) 2,2-diphenylacetate?
(4-methyl-2-oxochromen-7-yl) 2,2-diphenylacetate has a molecular weight of 370.40 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-oxochromen-7-yl) 2,2-diphenylacetate is sourced from PubChem (CID 983535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).