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

C20H18F2O4 — CID 60583292

IUPAC(3E)-3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-5,7-dimethylchromen-4-one
SMILESCOc1cc(/C=C2\COc3cc(C)cc(C)c3C2=O)ccc1OC(F)F
InChIInChI=1S/C20H18F2O4/c1-11-6-12(2)18-17(7-11)25-10-14(19(18)23)8-13-4-5-15(26-20(21)22)16(9-13)24-3/h4-9,20H,10H2,1-3H3/b14-8+
InChIKeyFSLNEYFUOPVGEP-RIYZIHGNSA-N
MW360.36 g/mol
LogP4.57
Rot. Bonds4

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

(3E)-3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-5,7-dimethylchromen-4-one (PubChem CID 60583292) has the molecular formula C20H18F2O4 and a molecular weight of 360.36 g/mol. Its IUPAC name is (3E)-3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-5,7-dimethylchromen-4-one.

Molecular Properties

Compound Name(3E)-3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-5,7-dimethylchromen-4-one
PubChem CID60583292
Molecular FormulaC20H18F2O4
Molecular Weight360.36 g/mol
Exact Mass360.12
IUPAC Name(3E)-3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-5,7-dimethylchromen-4-one
SMILESCOc1cc(/C=C2\COc3cc(C)cc(C)c3C2=O)ccc1OC(F)F
InChIInChI=1S/C20H18F2O4/c1-11-6-12(2)18-17(7-11)25-10-14(19(18)23)8-13-4-5-15(26-20(21)22)16(9-13)24-3/h4-9,20H,10H2,1-3H3/b14-8+
InChIKeyFSLNEYFUOPVGEP-RIYZIHGNSA-N
XLogP4.57
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3E)-3-[(4-ethoxy-3-methoxyphenyl)methylidene]-5,7-dimethylchromen-4-one
CID 60583195
(3E)-3-[(3,4-difluorophenyl)methylidene]-5,7-dimethylchromen-4-one
CID 60583274
(3E)-3-[[3-(difluoromethoxy)-4-methoxyphenyl]methylidene]chromen-4-one
CID 8861986
(3E)-3-[(3-fluorophenyl)methylidene]-5,7-dimethylchromen-4-one
CID 60583211
(3E)-3-[(3,4-dimethoxyphenyl)methylidene]-5,6-dihydroxychromen-4-one
CID 162679170
(3E)-3-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylidene]chromen-4-one
CID 8861996
(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-7-methoxychromen-4-one
CID 6857791
(3E)-3-[(3-fluoro-4-hydroxyphenyl)methylidene]-5,6,7-trimethoxychromen-4-one
CID 118908232
(3E)-3-[(3,4-dimethoxyphenyl)methylidene]-7-methyl-5H-1,5-benzoxazepin-4-one
CID 25242106
(3Z)-3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-6-fluorothiochromen-4-one
CID 7945748
2-[4-[(Z)-(6,8-dimethyl-4-oxochromen-3-ylidene)methyl]-2-methoxyphenoxy]-N-methylacetamide
CID 95041743
(2Z)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-6-hydroxy-1-benzofuran-3-one
CID 17476607

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-5,7-dimethylchromen-4-one?
The IUPAC name of (3E)-3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-5,7-dimethylchromen-4-one (CID 60583292) is (3E)-3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-5,7-dimethylchromen-4-one.
What is the SMILES notation for (3E)-3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-5,7-dimethylchromen-4-one?
The canonical SMILES for (3E)-3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-5,7-dimethylchromen-4-one is COc1cc(/C=C2\COc3cc(C)cc(C)c3C2=O)ccc1OC(F)F.
What is the InChIKey of (3E)-3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-5,7-dimethylchromen-4-one?
The InChIKey is FSLNEYFUOPVGEP-RIYZIHGNSA-N. The full InChI is InChI=1S/C20H18F2O4/c1-11-6-12(2)18-17(7-11)25-10-14(19(18)23)8-13-4-5-15(26-20(21)22)16(9-13)24-3/h4-9,20H,10H2,1-3H3/b14-8+.
What are the key properties of (3E)-3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-5,7-dimethylchromen-4-one?
(3E)-3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-5,7-dimethylchromen-4-one has a molecular weight of 360.36 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-5,7-dimethylchromen-4-one is sourced from PubChem (CID 60583292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).