methyl 2-(2-oxo-4-phenylchromen-7-yl)oxypropanoate

C19H16O5 — CID 2787482

IUPACmethyl 2-(2-oxo-4-phenylchromen-7-yl)oxypropanoate
SMILESCOC(=O)C(C)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1
InChIInChI=1S/C19H16O5/c1-12(19(21)22-2)23-14-8-9-15-16(13-6-4-3-5-7-13)11-18(20)24-17(15)10-14/h3-12H,1-2H3
InChIKeyOXGMDUSTGDINRR-UHFFFAOYSA-N
MW324.33 g/mol
LogP3.40
Rot. Bonds4

About methyl 2-(2-oxo-4-phenylchromen-7-yl)oxypropanoate

methyl 2-(2-oxo-4-phenylchromen-7-yl)oxypropanoate (PubChem CID 2787482) has the molecular formula C19H16O5 and a molecular weight of 324.33 g/mol. Its IUPAC name is methyl 2-(2-oxo-4-phenylchromen-7-yl)oxypropanoate.

Molecular Properties

Compound Namemethyl 2-(2-oxo-4-phenylchromen-7-yl)oxypropanoate
PubChem CID2787482
Molecular FormulaC19H16O5
Molecular Weight324.33 g/mol
Exact Mass324.10
IUPAC Namemethyl 2-(2-oxo-4-phenylchromen-7-yl)oxypropanoate
SMILESCOC(=O)C(C)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1
InChIInChI=1S/C19H16O5/c1-12(19(21)22-2)23-14-8-9-15-16(13-6-4-3-5-7-13)11-18(20)24-17(15)10-14/h3-12H,1-2H3
InChIKeyOXGMDUSTGDINRR-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-oxo-4-phenylchromen-7-yl)oxypropanoate?
The IUPAC name of methyl 2-(2-oxo-4-phenylchromen-7-yl)oxypropanoate (CID 2787482) is methyl 2-(2-oxo-4-phenylchromen-7-yl)oxypropanoate.
What is the SMILES notation for methyl 2-(2-oxo-4-phenylchromen-7-yl)oxypropanoate?
The canonical SMILES for methyl 2-(2-oxo-4-phenylchromen-7-yl)oxypropanoate is COC(=O)C(C)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1.
What is the InChIKey of methyl 2-(2-oxo-4-phenylchromen-7-yl)oxypropanoate?
The InChIKey is OXGMDUSTGDINRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O5/c1-12(19(21)22-2)23-14-8-9-15-16(13-6-4-3-5-7-13)11-18(20)24-17(15)10-14/h3-12H,1-2H3.
What are the key properties of methyl 2-(2-oxo-4-phenylchromen-7-yl)oxypropanoate?
methyl 2-(2-oxo-4-phenylchromen-7-yl)oxypropanoate has a molecular weight of 324.33 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-oxo-4-phenylchromen-7-yl)oxypropanoate is sourced from PubChem (CID 2787482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).