(7-methyl-2-oxochromen-4-yl)methyl 2-(difluoromethoxy)benzoate

C19H14F2O5 — CID 2691697

IUPAC(7-methyl-2-oxochromen-4-yl)methyl 2-(difluoromethoxy)benzoate
SMILESCc1ccc2c(COC(=O)c3ccccc3OC(F)F)cc(=O)oc2c1
InChIInChI=1S/C19H14F2O5/c1-11-6-7-13-12(9-17(22)25-16(13)8-11)10-24-18(23)14-4-2-3-5-15(14)26-19(20)21/h2-9,19H,10H2,1H3
InChIKeyIVAGPYZPUWRSKL-UHFFFAOYSA-N
MW360.31 g/mol
LogP4.06
Rot. Bonds5

About (7-methyl-2-oxochromen-4-yl)methyl 2-(difluoromethoxy)benzoate

(7-methyl-2-oxochromen-4-yl)methyl 2-(difluoromethoxy)benzoate (PubChem CID 2691697) has the molecular formula C19H14F2O5 and a molecular weight of 360.31 g/mol. Its IUPAC name is (7-methyl-2-oxochromen-4-yl)methyl 2-(difluoromethoxy)benzoate.

Molecular Properties

Compound Name(7-methyl-2-oxochromen-4-yl)methyl 2-(difluoromethoxy)benzoate
PubChem CID2691697
Molecular FormulaC19H14F2O5
Molecular Weight360.31 g/mol
Exact Mass360.08
IUPAC Name(7-methyl-2-oxochromen-4-yl)methyl 2-(difluoromethoxy)benzoate
SMILESCc1ccc2c(COC(=O)c3ccccc3OC(F)F)cc(=O)oc2c1
InChIInChI=1S/C19H14F2O5/c1-11-6-7-13-12(9-17(22)25-16(13)8-11)10-24-18(23)14-4-2-3-5-15(14)26-19(20)21/h2-9,19H,10H2,1H3
InChIKeyIVAGPYZPUWRSKL-UHFFFAOYSA-N
XLogP4.06
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.31
LogP ≤ 54.06
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 (7-methyl-2-oxochromen-4-yl)methyl 2-(difluoromethoxy)benzoate?
The IUPAC name of (7-methyl-2-oxochromen-4-yl)methyl 2-(difluoromethoxy)benzoate (CID 2691697) is (7-methyl-2-oxochromen-4-yl)methyl 2-(difluoromethoxy)benzoate.
What is the SMILES notation for (7-methyl-2-oxochromen-4-yl)methyl 2-(difluoromethoxy)benzoate?
The canonical SMILES for (7-methyl-2-oxochromen-4-yl)methyl 2-(difluoromethoxy)benzoate is Cc1ccc2c(COC(=O)c3ccccc3OC(F)F)cc(=O)oc2c1.
What is the InChIKey of (7-methyl-2-oxochromen-4-yl)methyl 2-(difluoromethoxy)benzoate?
The InChIKey is IVAGPYZPUWRSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2O5/c1-11-6-7-13-12(9-17(22)25-16(13)8-11)10-24-18(23)14-4-2-3-5-15(14)26-19(20)21/h2-9,19H,10H2,1H3.
What are the key properties of (7-methyl-2-oxochromen-4-yl)methyl 2-(difluoromethoxy)benzoate?
(7-methyl-2-oxochromen-4-yl)methyl 2-(difluoromethoxy)benzoate has a molecular weight of 360.31 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-2-oxochromen-4-yl)methyl 2-(difluoromethoxy)benzoate is sourced from PubChem (CID 2691697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).