(3E)-3-[(3-fluorophenyl)methylidene]-5,7-dimethylchromen-4-one

C18H15FO2 — CID 60583211

IUPAC(3E)-3-[(3-fluorophenyl)methylidene]-5,7-dimethylchromen-4-one
SMILESCc1cc(C)c2c(c1)OC/C(=C\c1cccc(F)c1)C2=O
InChIInChI=1S/C18H15FO2/c1-11-6-12(2)17-16(7-11)21-10-14(18(17)20)8-13-4-3-5-15(19)9-13/h3-9H,10H2,1-2H3/b14-8+
InChIKeyFINKRWCONMISFS-RIYZIHGNSA-N
MW282.31 g/mol
LogP4.10
Rot. Bonds1

About (3E)-3-[(3-fluorophenyl)methylidene]-5,7-dimethylchromen-4-one

(3E)-3-[(3-fluorophenyl)methylidene]-5,7-dimethylchromen-4-one (PubChem CID 60583211) has the molecular formula C18H15FO2 and a molecular weight of 282.31 g/mol. Its IUPAC name is (3E)-3-[(3-fluorophenyl)methylidene]-5,7-dimethylchromen-4-one.

Molecular Properties

Compound Name(3E)-3-[(3-fluorophenyl)methylidene]-5,7-dimethylchromen-4-one
PubChem CID60583211
Molecular FormulaC18H15FO2
Molecular Weight282.31 g/mol
Exact Mass282.11
IUPAC Name(3E)-3-[(3-fluorophenyl)methylidene]-5,7-dimethylchromen-4-one
SMILESCc1cc(C)c2c(c1)OC/C(=C\c1cccc(F)c1)C2=O
InChIInChI=1S/C18H15FO2/c1-11-6-12(2)17-16(7-11)21-10-14(18(17)20)8-13-4-3-5-15(19)9-13/h3-9H,10H2,1-2H3/b14-8+
InChIKeyFINKRWCONMISFS-RIYZIHGNSA-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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Related Compounds

(3E)-3-[(3,4-difluorophenyl)methylidene]-5,7-dimethylchromen-4-one
CID 60583274
(3E)-3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-5,7-dimethylchromen-4-one
CID 60583292
(7E)-7-[(3-fluorophenyl)methylidene]-[1,3]dioxolo[4,5-g]chromen-8-one
CID 60602379
(3E)-3-[(4-ethoxy-3-methoxyphenyl)methylidene]-5,7-dimethylchromen-4-one
CID 60583195
(3Z)-3-[(3-methylphenyl)methylidene]chromen-4-one
CID 2623286
(3Z)-3-[(4-fluorophenyl)methylidene]-6,8-dimethylchromen-4-one
CID 60583295
(3Z,5E)-3,5-bis[(3-fluorophenyl)methylidene]-1-methylpiperidin-4-one
CID 8833143
4,6-dimethyl-1-benzofuran-3-one
CID 595599
3-[(3-fluorophenyl)methylidene]oxolane-2,5-dione
CID 123467894
(3E)-3-[(3-fluoro-4-hydroxyphenyl)methylidene]-5,6,7-trimethoxychromen-4-one
CID 118908232
(2E,6E)-4-tert-butyl-2,6-bis[(3-fluorophenyl)methylidene]cyclohexan-1-one
CID 6283777
(2E)-2-[(3-fluorophenyl)methylidene]cycloheptan-1-one
CID 5469550

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(3-fluorophenyl)methylidene]-5,7-dimethylchromen-4-one?
The IUPAC name of (3E)-3-[(3-fluorophenyl)methylidene]-5,7-dimethylchromen-4-one (CID 60583211) is (3E)-3-[(3-fluorophenyl)methylidene]-5,7-dimethylchromen-4-one.
What is the SMILES notation for (3E)-3-[(3-fluorophenyl)methylidene]-5,7-dimethylchromen-4-one?
The canonical SMILES for (3E)-3-[(3-fluorophenyl)methylidene]-5,7-dimethylchromen-4-one is Cc1cc(C)c2c(c1)OC/C(=C\c1cccc(F)c1)C2=O.
What is the InChIKey of (3E)-3-[(3-fluorophenyl)methylidene]-5,7-dimethylchromen-4-one?
The InChIKey is FINKRWCONMISFS-RIYZIHGNSA-N. The full InChI is InChI=1S/C18H15FO2/c1-11-6-12(2)17-16(7-11)21-10-14(18(17)20)8-13-4-3-5-15(19)9-13/h3-9H,10H2,1-2H3/b14-8+.
What are the key properties of (3E)-3-[(3-fluorophenyl)methylidene]-5,7-dimethylchromen-4-one?
(3E)-3-[(3-fluorophenyl)methylidene]-5,7-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 (3E)-3-[(3-fluorophenyl)methylidene]-5,7-dimethylchromen-4-one is sourced from PubChem (CID 60583211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).