7-[2-[2-(difluoromethoxy)phenyl]-2-oxoethoxy]chromen-2-one

C18H12F2O5 — CID 134025264

IUPAC7-[2-[2-(difluoromethoxy)phenyl]-2-oxoethoxy]chromen-2-one
SMILESO=C(COc1ccc2ccc(=O)oc2c1)c1ccccc1OC(F)F
InChIInChI=1S/C18H12F2O5/c19-18(20)25-15-4-2-1-3-13(15)14(21)10-23-12-7-5-11-6-8-17(22)24-16(11)9-12/h1-9,18H,10H2
InChIKeyUUZQPSKBBGLLDM-UHFFFAOYSA-N
MW346.29 g/mol
LogP3.66
Rot. Bonds6

About 7-[2-[2-(difluoromethoxy)phenyl]-2-oxoethoxy]chromen-2-one

7-[2-[2-(difluoromethoxy)phenyl]-2-oxoethoxy]chromen-2-one (PubChem CID 134025264) has the molecular formula C18H12F2O5 and a molecular weight of 346.29 g/mol. Its IUPAC name is 7-[2-[2-(difluoromethoxy)phenyl]-2-oxoethoxy]chromen-2-one.

Molecular Properties

Compound Name7-[2-[2-(difluoromethoxy)phenyl]-2-oxoethoxy]chromen-2-one
PubChem CID134025264
Molecular FormulaC18H12F2O5
Molecular Weight346.29 g/mol
Exact Mass346.07
IUPAC Name7-[2-[2-(difluoromethoxy)phenyl]-2-oxoethoxy]chromen-2-one
SMILESO=C(COc1ccc2ccc(=O)oc2c1)c1ccccc1OC(F)F
InChIInChI=1S/C18H12F2O5/c19-18(20)25-15-4-2-1-3-13(15)14(21)10-23-12-7-5-11-6-8-17(22)24-16(11)9-12/h1-9,18H,10H2
InChIKeyUUZQPSKBBGLLDM-UHFFFAOYSA-N
XLogP3.66
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.29
LogP ≤ 53.66
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-[2-[2-(difluoromethoxy)phenyl]-2-oxoethoxy]chromen-2-one?
The IUPAC name of 7-[2-[2-(difluoromethoxy)phenyl]-2-oxoethoxy]chromen-2-one (CID 134025264) is 7-[2-[2-(difluoromethoxy)phenyl]-2-oxoethoxy]chromen-2-one.
What is the SMILES notation for 7-[2-[2-(difluoromethoxy)phenyl]-2-oxoethoxy]chromen-2-one?
The canonical SMILES for 7-[2-[2-(difluoromethoxy)phenyl]-2-oxoethoxy]chromen-2-one is O=C(COc1ccc2ccc(=O)oc2c1)c1ccccc1OC(F)F.
What is the InChIKey of 7-[2-[2-(difluoromethoxy)phenyl]-2-oxoethoxy]chromen-2-one?
The InChIKey is UUZQPSKBBGLLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2O5/c19-18(20)25-15-4-2-1-3-13(15)14(21)10-23-12-7-5-11-6-8-17(22)24-16(11)9-12/h1-9,18H,10H2.
What are the key properties of 7-[2-[2-(difluoromethoxy)phenyl]-2-oxoethoxy]chromen-2-one?
7-[2-[2-(difluoromethoxy)phenyl]-2-oxoethoxy]chromen-2-one has a molecular weight of 346.29 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[2-(difluoromethoxy)phenyl]-2-oxoethoxy]chromen-2-one is sourced from PubChem (CID 134025264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).