prop-2-enyl 2-(4-methyl-2-oxo-3-phenylchromen-7-yl)oxyacetate

C21H18O5 — CID 7198306

IUPACprop-2-enyl 2-(4-methyl-2-oxo-3-phenylchromen-7-yl)oxyacetate
SMILESC=CCOC(=O)COc1ccc2c(C)c(-c3ccccc3)c(=O)oc2c1
InChIInChI=1S/C21H18O5/c1-3-11-24-19(22)13-25-16-9-10-17-14(2)20(15-7-5-4-6-8-15)21(23)26-18(17)12-16/h3-10,12H,1,11,13H2,2H3
InChIKeyMDIXHPMWRCSBON-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.88
Rot. Bonds6

About prop-2-enyl 2-(4-methyl-2-oxo-3-phenylchromen-7-yl)oxyacetate

prop-2-enyl 2-(4-methyl-2-oxo-3-phenylchromen-7-yl)oxyacetate (PubChem CID 7198306) has the molecular formula C21H18O5 and a molecular weight of 350.37 g/mol. Its IUPAC name is prop-2-enyl 2-(4-methyl-2-oxo-3-phenylchromen-7-yl)oxyacetate.

Molecular Properties

Compound Nameprop-2-enyl 2-(4-methyl-2-oxo-3-phenylchromen-7-yl)oxyacetate
PubChem CID7198306
Molecular FormulaC21H18O5
Molecular Weight350.37 g/mol
Exact Mass350.12
IUPAC Nameprop-2-enyl 2-(4-methyl-2-oxo-3-phenylchromen-7-yl)oxyacetate
SMILESC=CCOC(=O)COc1ccc2c(C)c(-c3ccccc3)c(=O)oc2c1
InChIInChI=1S/C21H18O5/c1-3-11-24-19(22)13-25-16-9-10-17-14(2)20(15-7-5-4-6-8-15)21(23)26-18(17)12-16/h3-10,12H,1,11,13H2,2H3
InChIKeyMDIXHPMWRCSBON-UHFFFAOYSA-N
XLogP3.88
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl 2-[4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl]oxyacetate
CID 3396308
methyl 2-[3-(4-methoxyphenyl)-4-methyl-2-oxochromen-7-yl]oxyacetate
CID 7198355
benzyl 2-[3-(3,4-dimethoxyphenyl)-4-methyl-2-oxochromen-7-yl]oxyacetate
CID 44963701
propan-2-yl 2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetate
CID 882841
7-[(3-methoxyphenyl)methoxy]-4-methyl-3-phenylchromen-2-one
CID 44963511
(4-phenylphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7909541
(4-methyl-2-oxo-3-phenylchromen-7-yl) 2-methoxybenzoate
CID 44963548
tert-butyl 2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetate
CID 883280
ethyl 2-(4-methyl-2-oxo-3-undecylchromen-7-yl)oxyacetate
CID 146164206
4,6-dimethyl-3,7-diphenylpyrano[3,2-g]chromene-2,8-dione
CID 3437445
3-bromo-4-methyl-7-phenacyloxychromen-2-one
CID 46197762
prop-2-enyl 2-(3-benzyl-4,7-dimethyl-2-oxochromen-5-yl)oxyacetate
CID 4914747

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-(4-methyl-2-oxo-3-phenylchromen-7-yl)oxyacetate?
The IUPAC name of prop-2-enyl 2-(4-methyl-2-oxo-3-phenylchromen-7-yl)oxyacetate (CID 7198306) is prop-2-enyl 2-(4-methyl-2-oxo-3-phenylchromen-7-yl)oxyacetate.
What is the SMILES notation for prop-2-enyl 2-(4-methyl-2-oxo-3-phenylchromen-7-yl)oxyacetate?
The canonical SMILES for prop-2-enyl 2-(4-methyl-2-oxo-3-phenylchromen-7-yl)oxyacetate is C=CCOC(=O)COc1ccc2c(C)c(-c3ccccc3)c(=O)oc2c1.
What is the InChIKey of prop-2-enyl 2-(4-methyl-2-oxo-3-phenylchromen-7-yl)oxyacetate?
The InChIKey is MDIXHPMWRCSBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O5/c1-3-11-24-19(22)13-25-16-9-10-17-14(2)20(15-7-5-4-6-8-15)21(23)26-18(17)12-16/h3-10,12H,1,11,13H2,2H3.
What are the key properties of prop-2-enyl 2-(4-methyl-2-oxo-3-phenylchromen-7-yl)oxyacetate?
prop-2-enyl 2-(4-methyl-2-oxo-3-phenylchromen-7-yl)oxyacetate has a molecular weight of 350.37 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-(4-methyl-2-oxo-3-phenylchromen-7-yl)oxyacetate is sourced from PubChem (CID 7198306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).