7-[(3-fluorophenyl)methoxy]-4-(imidazol-1-ylmethyl)chromen-2-one

C20H15FN2O3 — CID 51355429

IUPAC7-[(3-fluorophenyl)methoxy]-4-(imidazol-1-ylmethyl)chromen-2-one
SMILESO=c1cc(Cn2ccnc2)c2ccc(OCc3cccc(F)c3)cc2o1
InChIInChI=1S/C20H15FN2O3/c21-16-3-1-2-14(8-16)12-25-17-4-5-18-15(11-23-7-6-22-13-23)9-20(24)26-19(18)10-17/h1-10,13H,11-12H2
InChIKeyHHHMOHRIHKZBMD-UHFFFAOYSA-N
MW350.35 g/mol
LogP3.76
Rot. Bonds5

About 7-[(3-fluorophenyl)methoxy]-4-(imidazol-1-ylmethyl)chromen-2-one

7-[(3-fluorophenyl)methoxy]-4-(imidazol-1-ylmethyl)chromen-2-one (PubChem CID 51355429) has the molecular formula C20H15FN2O3 and a molecular weight of 350.35 g/mol. Its IUPAC name is 7-[(3-fluorophenyl)methoxy]-4-(imidazol-1-ylmethyl)chromen-2-one.

Molecular Properties

Compound Name7-[(3-fluorophenyl)methoxy]-4-(imidazol-1-ylmethyl)chromen-2-one
PubChem CID51355429
Molecular FormulaC20H15FN2O3
Molecular Weight350.35 g/mol
Exact Mass350.11
IUPAC Name7-[(3-fluorophenyl)methoxy]-4-(imidazol-1-ylmethyl)chromen-2-one
SMILESO=c1cc(Cn2ccnc2)c2ccc(OCc3cccc(F)c3)cc2o1
InChIInChI=1S/C20H15FN2O3/c21-16-3-1-2-14(8-16)12-25-17-4-5-18-15(11-23-7-6-22-13-23)9-20(24)26-19(18)10-17/h1-10,13H,11-12H2
InChIKeyHHHMOHRIHKZBMD-UHFFFAOYSA-N
XLogP3.76
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 53.76
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-fluorophenyl)methoxy]-4-(imidazol-1-ylmethyl)chromen-2-one?
The IUPAC name of 7-[(3-fluorophenyl)methoxy]-4-(imidazol-1-ylmethyl)chromen-2-one (CID 51355429) is 7-[(3-fluorophenyl)methoxy]-4-(imidazol-1-ylmethyl)chromen-2-one.
What is the SMILES notation for 7-[(3-fluorophenyl)methoxy]-4-(imidazol-1-ylmethyl)chromen-2-one?
The canonical SMILES for 7-[(3-fluorophenyl)methoxy]-4-(imidazol-1-ylmethyl)chromen-2-one is O=c1cc(Cn2ccnc2)c2ccc(OCc3cccc(F)c3)cc2o1.
What is the InChIKey of 7-[(3-fluorophenyl)methoxy]-4-(imidazol-1-ylmethyl)chromen-2-one?
The InChIKey is HHHMOHRIHKZBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O3/c21-16-3-1-2-14(8-16)12-25-17-4-5-18-15(11-23-7-6-22-13-23)9-20(24)26-19(18)10-17/h1-10,13H,11-12H2.
What are the key properties of 7-[(3-fluorophenyl)methoxy]-4-(imidazol-1-ylmethyl)chromen-2-one?
7-[(3-fluorophenyl)methoxy]-4-(imidazol-1-ylmethyl)chromen-2-one has a molecular weight of 350.35 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-fluorophenyl)methoxy]-4-(imidazol-1-ylmethyl)chromen-2-one is sourced from PubChem (CID 51355429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).