(4-methyl-2-oxochromen-7-yl) 2-(2-methoxyphenyl)acetate

C19H16O5 — CID 9097847

IUPAC(4-methyl-2-oxochromen-7-yl) 2-(2-methoxyphenyl)acetate
SMILESCOc1ccccc1CC(=O)Oc1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C19H16O5/c1-12-9-18(20)24-17-11-14(7-8-15(12)17)23-19(21)10-13-5-3-4-6-16(13)22-2/h3-9,11H,10H2,1-2H3
InChIKeyWKGNSEZRLQSMPI-UHFFFAOYSA-N
MW324.33 g/mol
LogP3.26
Rot. Bonds4

About (4-methyl-2-oxochromen-7-yl) 2-(2-methoxyphenyl)acetate

(4-methyl-2-oxochromen-7-yl) 2-(2-methoxyphenyl)acetate (PubChem CID 9097847) has the molecular formula C19H16O5 and a molecular weight of 324.33 g/mol. Its IUPAC name is (4-methyl-2-oxochromen-7-yl) 2-(2-methoxyphenyl)acetate.

Molecular Properties

Compound Name(4-methyl-2-oxochromen-7-yl) 2-(2-methoxyphenyl)acetate
PubChem CID9097847
Molecular FormulaC19H16O5
Molecular Weight324.33 g/mol
Exact Mass324.10
IUPAC Name(4-methyl-2-oxochromen-7-yl) 2-(2-methoxyphenyl)acetate
SMILESCOc1ccccc1CC(=O)Oc1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C19H16O5/c1-12-9-18(20)24-17-11-14(7-8-15(12)17)23-19(21)10-13-5-3-4-6-16(13)22-2/h3-9,11H,10H2,1-2H3
InChIKeyWKGNSEZRLQSMPI-UHFFFAOYSA-N
XLogP3.26
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4-methyl-2-oxochromen-7-yl) 2-(2-methoxyphenyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,6-dimethoxyphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7934790
(4-methyl-2-oxochromen-7-yl) 3-aminopropanoate chloride
CID 21180090
(4-methyl-2-oxochromen-7-yl) 2-(2-chlorophenoxy)acetate
CID 3293400
(3,4-dimethylphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 9097338
(4-methyl-2-oxochromen-7-yl) 2-methylpropanoate
CID 728527
(4-methyl-2-oxochromen-7-yl) 2-(2-chloroanilino)acetate
CID 54771855
(2-oxo-4-propylchromen-7-yl) 2-(2-methoxyphenoxy)acetate
CID 7923747
(4-methyl-2-oxochromen-7-yl) 2-(3,5-dimethylphenoxy)acetate
CID 7727595
(4-phenylphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7909541
(8,9,10-trimethoxy-6-oxobenzo[c]chromen-3-yl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 19168767
(4-methyl-2-oxochromen-7-yl) 2-(4-chlorophenoxy)acetate
CID 728525
(4-methyl-2-oxochromen-7-yl) 2-chlorobenzoate
CID 802470

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-oxochromen-7-yl) 2-(2-methoxyphenyl)acetate?
The IUPAC name of (4-methyl-2-oxochromen-7-yl) 2-(2-methoxyphenyl)acetate (CID 9097847) is (4-methyl-2-oxochromen-7-yl) 2-(2-methoxyphenyl)acetate.
What is the SMILES notation for (4-methyl-2-oxochromen-7-yl) 2-(2-methoxyphenyl)acetate?
The canonical SMILES for (4-methyl-2-oxochromen-7-yl) 2-(2-methoxyphenyl)acetate is COc1ccccc1CC(=O)Oc1ccc2c(C)cc(=O)oc2c1.
What is the InChIKey of (4-methyl-2-oxochromen-7-yl) 2-(2-methoxyphenyl)acetate?
The InChIKey is WKGNSEZRLQSMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O5/c1-12-9-18(20)24-17-11-14(7-8-15(12)17)23-19(21)10-13-5-3-4-6-16(13)22-2/h3-9,11H,10H2,1-2H3.
What are the key properties of (4-methyl-2-oxochromen-7-yl) 2-(2-methoxyphenyl)acetate?
(4-methyl-2-oxochromen-7-yl) 2-(2-methoxyphenyl)acetate has a molecular weight of 324.33 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-oxochromen-7-yl) 2-(2-methoxyphenyl)acetate is sourced from PubChem (CID 9097847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).