7-(3-chlorophenoxy)-4-(imidazol-1-ylmethyl)chromen-2-one

C19H13ClN2O3 — CID 51355709

IUPAC7-(3-chlorophenoxy)-4-(imidazol-1-ylmethyl)chromen-2-one
SMILESO=c1cc(Cn2ccnc2)c2ccc(Oc3cccc(Cl)c3)cc2o1
InChIInChI=1S/C19H13ClN2O3/c20-14-2-1-3-15(9-14)24-16-4-5-17-13(11-22-7-6-21-12-22)8-19(23)25-18(17)10-16/h1-10,12H,11H2
InChIKeyFKPNHEVYNWYAOD-UHFFFAOYSA-N
MW352.78 g/mol
LogP4.48
Rot. Bonds4

About 7-(3-chlorophenoxy)-4-(imidazol-1-ylmethyl)chromen-2-one

7-(3-chlorophenoxy)-4-(imidazol-1-ylmethyl)chromen-2-one (PubChem CID 51355709) has the molecular formula C19H13ClN2O3 and a molecular weight of 352.78 g/mol. Its IUPAC name is 7-(3-chlorophenoxy)-4-(imidazol-1-ylmethyl)chromen-2-one.

Molecular Properties

Compound Name7-(3-chlorophenoxy)-4-(imidazol-1-ylmethyl)chromen-2-one
PubChem CID51355709
Molecular FormulaC19H13ClN2O3
Molecular Weight352.78 g/mol
Exact Mass352.06
IUPAC Name7-(3-chlorophenoxy)-4-(imidazol-1-ylmethyl)chromen-2-one
SMILESO=c1cc(Cn2ccnc2)c2ccc(Oc3cccc(Cl)c3)cc2o1
InChIInChI=1S/C19H13ClN2O3/c20-14-2-1-3-15(9-14)24-16-4-5-17-13(11-22-7-6-21-12-22)8-19(23)25-18(17)10-16/h1-10,12H,11H2
InChIKeyFKPNHEVYNWYAOD-UHFFFAOYSA-N
XLogP4.48
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 54.48
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-(3-chlorophenoxy)-4-(imidazol-1-ylmethyl)chromen-2-one?
The IUPAC name of 7-(3-chlorophenoxy)-4-(imidazol-1-ylmethyl)chromen-2-one (CID 51355709) is 7-(3-chlorophenoxy)-4-(imidazol-1-ylmethyl)chromen-2-one.
What is the SMILES notation for 7-(3-chlorophenoxy)-4-(imidazol-1-ylmethyl)chromen-2-one?
The canonical SMILES for 7-(3-chlorophenoxy)-4-(imidazol-1-ylmethyl)chromen-2-one is O=c1cc(Cn2ccnc2)c2ccc(Oc3cccc(Cl)c3)cc2o1.
What is the InChIKey of 7-(3-chlorophenoxy)-4-(imidazol-1-ylmethyl)chromen-2-one?
The InChIKey is FKPNHEVYNWYAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O3/c20-14-2-1-3-15(9-14)24-16-4-5-17-13(11-22-7-6-21-12-22)8-19(23)25-18(17)10-16/h1-10,12H,11H2.
What are the key properties of 7-(3-chlorophenoxy)-4-(imidazol-1-ylmethyl)chromen-2-one?
7-(3-chlorophenoxy)-4-(imidazol-1-ylmethyl)chromen-2-one has a molecular weight of 352.78 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chlorophenoxy)-4-(imidazol-1-ylmethyl)chromen-2-one is sourced from PubChem (CID 51355709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).