(8-acetyl-4-methyl-2-oxochromen-7-yl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate

C24H18O8 — CID 19172544

IUPAC(8-acetyl-4-methyl-2-oxochromen-7-yl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
SMILESCC(=O)c1c(OC(=O)COc2ccc3c(C)cc(=O)oc3c2)ccc2c(C)cc(=O)oc12
InChIInChI=1S/C24H18O8/c1-12-8-20(26)31-19-10-15(4-5-16(12)19)29-11-22(28)30-18-7-6-17-13(2)9-21(27)32-24(17)23(18)14(3)25/h4-10H,11H2,1-3H3
InChIKeySPKOVVVNDQEOMK-UHFFFAOYSA-N
MW434.40 g/mol
LogP3.70
Rot. Bonds5

About (8-acetyl-4-methyl-2-oxochromen-7-yl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate

(8-acetyl-4-methyl-2-oxochromen-7-yl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate (PubChem CID 19172544) has the molecular formula C24H18O8 and a molecular weight of 434.40 g/mol. Its IUPAC name is (8-acetyl-4-methyl-2-oxochromen-7-yl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate.

Molecular Properties

Compound Name(8-acetyl-4-methyl-2-oxochromen-7-yl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
PubChem CID19172544
Molecular FormulaC24H18O8
Molecular Weight434.40 g/mol
Exact Mass434.10
IUPAC Name(8-acetyl-4-methyl-2-oxochromen-7-yl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
SMILESCC(=O)c1c(OC(=O)COc2ccc3c(C)cc(=O)oc3c2)ccc2c(C)cc(=O)oc12
InChIInChI=1S/C24H18O8/c1-12-8-20(26)31-19-10-15(4-5-16(12)19)29-11-22(28)30-18-7-6-17-13(2)9-21(27)32-24(17)23(18)14(3)25/h4-10H,11H2,1-3H3
InChIKeySPKOVVVNDQEOMK-UHFFFAOYSA-N
XLogP3.70
TPSA113.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.40
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(8-acetyl-4-methyl-2-oxochromen-7-yl) 2-(3-methylphenoxy)acetate
CID 19172547
(4-acetylphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7741120
(2,4-dichlorophenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 8778362
(3,4-dimethylphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 9097338
propan-2-yl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 2788108
(2,6-dimethoxyphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7934790
(4-methyl-2-oxochromen-7-yl) 2-(3,5-dimethylphenoxy)acetate
CID 7727595
(3,4-dichlorophenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 1112325
(4-phenylphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7909541
(4,8-dimethyl-2-oxochromen-7-yl) 2-(4-chloro-3-methylphenoxy)acetate
CID 7917090
(4-methyl-2-oxochromen-7-yl) 2-(4-chlorophenoxy)acetate
CID 728525
(2-amino-2-oxoethyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7844229

Frequently Asked Questions

What is the IUPAC name of (8-acetyl-4-methyl-2-oxochromen-7-yl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate?
The IUPAC name of (8-acetyl-4-methyl-2-oxochromen-7-yl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate (CID 19172544) is (8-acetyl-4-methyl-2-oxochromen-7-yl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate.
What is the SMILES notation for (8-acetyl-4-methyl-2-oxochromen-7-yl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate?
The canonical SMILES for (8-acetyl-4-methyl-2-oxochromen-7-yl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate is CC(=O)c1c(OC(=O)COc2ccc3c(C)cc(=O)oc3c2)ccc2c(C)cc(=O)oc12.
What is the InChIKey of (8-acetyl-4-methyl-2-oxochromen-7-yl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate?
The InChIKey is SPKOVVVNDQEOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O8/c1-12-8-20(26)31-19-10-15(4-5-16(12)19)29-11-22(28)30-18-7-6-17-13(2)9-21(27)32-24(17)23(18)14(3)25/h4-10H,11H2,1-3H3.
What are the key properties of (8-acetyl-4-methyl-2-oxochromen-7-yl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate?
(8-acetyl-4-methyl-2-oxochromen-7-yl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate has a molecular weight of 434.40 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (8-acetyl-4-methyl-2-oxochromen-7-yl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate is sourced from PubChem (CID 19172544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).