(3Z)-3-[(4-fluorophenyl)methylidene]-6,8-dimethylchromen-4-one

C18H15FO2 — CID 60583295

IUPAC(3Z)-3-[(4-fluorophenyl)methylidene]-6,8-dimethylchromen-4-one
SMILESCc1cc(C)c2c(c1)C(=O)/C(=C\c1ccc(F)cc1)CO2
InChIInChI=1S/C18H15FO2/c1-11-7-12(2)18-16(8-11)17(20)14(10-21-18)9-13-3-5-15(19)6-4-13/h3-9H,10H2,1-2H3/b14-9-
InChIKeyBPBRSSVVRMRJST-ZROIWOOFSA-N
MW282.31 g/mol
LogP4.10
Rot. Bonds1

About (3Z)-3-[(4-fluorophenyl)methylidene]-6,8-dimethylchromen-4-one

(3Z)-3-[(4-fluorophenyl)methylidene]-6,8-dimethylchromen-4-one (PubChem CID 60583295) has the molecular formula C18H15FO2 and a molecular weight of 282.31 g/mol. Its IUPAC name is (3Z)-3-[(4-fluorophenyl)methylidene]-6,8-dimethylchromen-4-one.

Molecular Properties

Compound Name(3Z)-3-[(4-fluorophenyl)methylidene]-6,8-dimethylchromen-4-one
PubChem CID60583295
Molecular FormulaC18H15FO2
Molecular Weight282.31 g/mol
Exact Mass282.11
IUPAC Name(3Z)-3-[(4-fluorophenyl)methylidene]-6,8-dimethylchromen-4-one
SMILESCc1cc(C)c2c(c1)C(=O)/C(=C\c1ccc(F)cc1)CO2
InChIInChI=1S/C18H15FO2/c1-11-7-12(2)18-16(8-11)17(20)14(10-21-18)9-13-3-5-15(19)6-4-13/h3-9H,10H2,1-2H3/b14-9-
InChIKeyBPBRSSVVRMRJST-ZROIWOOFSA-N
XLogP4.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(4-fluorophenyl)methylidene]-6,8-dimethylchromen-4-one?
The IUPAC name of (3Z)-3-[(4-fluorophenyl)methylidene]-6,8-dimethylchromen-4-one (CID 60583295) is (3Z)-3-[(4-fluorophenyl)methylidene]-6,8-dimethylchromen-4-one.
What is the SMILES notation for (3Z)-3-[(4-fluorophenyl)methylidene]-6,8-dimethylchromen-4-one?
The canonical SMILES for (3Z)-3-[(4-fluorophenyl)methylidene]-6,8-dimethylchromen-4-one is Cc1cc(C)c2c(c1)C(=O)/C(=C\c1ccc(F)cc1)CO2.
What is the InChIKey of (3Z)-3-[(4-fluorophenyl)methylidene]-6,8-dimethylchromen-4-one?
The InChIKey is BPBRSSVVRMRJST-ZROIWOOFSA-N. The full InChI is InChI=1S/C18H15FO2/c1-11-7-12(2)18-16(8-11)17(20)14(10-21-18)9-13-3-5-15(19)6-4-13/h3-9H,10H2,1-2H3/b14-9-.
What are the key properties of (3Z)-3-[(4-fluorophenyl)methylidene]-6,8-dimethylchromen-4-one?
(3Z)-3-[(4-fluorophenyl)methylidene]-6,8-dimethylchromen-4-one has a molecular weight of 282.31 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(4-fluorophenyl)methylidene]-6,8-dimethylchromen-4-one is sourced from PubChem (CID 60583295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).