(4Z)-4-[(4-fluorophenyl)methylidene]-5,5-dimethyl-1H-indeno[1,2-c]pyran

C21H19FO — CID 132555118

IUPAC(4Z)-4-[(4-fluorophenyl)methylidene]-5,5-dimethyl-1H-indeno[1,2-c]pyran
SMILESCC1(C)C2=C(COC/C2=C\c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C21H19FO/c1-21(2)19-6-4-3-5-17(19)18-13-23-12-15(20(18)21)11-14-7-9-16(22)10-8-14/h3-11H,12-13H2,1-2H3/b15-11+
InChIKeyUJQCIYSCSYMZBP-RVDMUPIBSA-N
MW306.38 g/mol
LogP4.98
Rot. Bonds1

About (4Z)-4-[(4-fluorophenyl)methylidene]-5,5-dimethyl-1H-indeno[1,2-c]pyran

(4Z)-4-[(4-fluorophenyl)methylidene]-5,5-dimethyl-1H-indeno[1,2-c]pyran (PubChem CID 132555118) has the molecular formula C21H19FO and a molecular weight of 306.38 g/mol. Its IUPAC name is (4Z)-4-[(4-fluorophenyl)methylidene]-5,5-dimethyl-1H-indeno[1,2-c]pyran.

Molecular Properties

Compound Name(4Z)-4-[(4-fluorophenyl)methylidene]-5,5-dimethyl-1H-indeno[1,2-c]pyran
PubChem CID132555118
Molecular FormulaC21H19FO
Molecular Weight306.38 g/mol
Exact Mass306.14
IUPAC Name(4Z)-4-[(4-fluorophenyl)methylidene]-5,5-dimethyl-1H-indeno[1,2-c]pyran
SMILESCC1(C)C2=C(COC/C2=C\c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C21H19FO/c1-21(2)19-6-4-3-5-17(19)18-13-23-12-15(20(18)21)11-14-7-9-16(22)10-8-14/h3-11H,12-13H2,1-2H3/b15-11+
InChIKeyUJQCIYSCSYMZBP-RVDMUPIBSA-N
XLogP4.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4Z)-4-benzylidene-5-methyl-5-phenyl-1H-indeno[1,2-c]pyran
CID 132555120
3-[(4-fluorophenyl)methylidene]chromen-4-one
CID 901865
(3Z,4Z)-3-benzylidene-4-inden-1-ylideneoxolane
CID 132510232
(6E)-6-[(4-fluorophenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one
CID 5396603
3-fluoro-9,9-dimethylfluorene
CID 130217991
(3E)-3-[(4-fluorophenyl)methylidene]oxolan-2-one
CID 101127578
9-(4-fluorophenyl)-9-methylfluorene
CID 71401006
(3E)-3-[(4-fluorophenyl)methylidene]-5-phenyloxolan-2-one
CID 10869267
[(E)-[(2E)-2-[(2E)-2-benzylidenecyclopentylidene]cyclopentylidene]methyl]benzene
CID 102353604
(1Z,3Z)-1,3-bis[(4-fluorophenyl)methylidene]inden-2-one
CID 2387034
5-[10-(4-fluorophenyl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene
CID 88549809
(3E)-3-[(4-fluorophenyl)methylidene]-1-methylpiperidin-4-one
CID 110540652

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(4-fluorophenyl)methylidene]-5,5-dimethyl-1H-indeno[1,2-c]pyran?
The IUPAC name of (4Z)-4-[(4-fluorophenyl)methylidene]-5,5-dimethyl-1H-indeno[1,2-c]pyran (CID 132555118) is (4Z)-4-[(4-fluorophenyl)methylidene]-5,5-dimethyl-1H-indeno[1,2-c]pyran.
What is the SMILES notation for (4Z)-4-[(4-fluorophenyl)methylidene]-5,5-dimethyl-1H-indeno[1,2-c]pyran?
The canonical SMILES for (4Z)-4-[(4-fluorophenyl)methylidene]-5,5-dimethyl-1H-indeno[1,2-c]pyran is CC1(C)C2=C(COC/C2=C\c2ccc(F)cc2)c2ccccc21.
What is the InChIKey of (4Z)-4-[(4-fluorophenyl)methylidene]-5,5-dimethyl-1H-indeno[1,2-c]pyran?
The InChIKey is UJQCIYSCSYMZBP-RVDMUPIBSA-N. The full InChI is InChI=1S/C21H19FO/c1-21(2)19-6-4-3-5-17(19)18-13-23-12-15(20(18)21)11-14-7-9-16(22)10-8-14/h3-11H,12-13H2,1-2H3/b15-11+.
What are the key properties of (4Z)-4-[(4-fluorophenyl)methylidene]-5,5-dimethyl-1H-indeno[1,2-c]pyran?
(4Z)-4-[(4-fluorophenyl)methylidene]-5,5-dimethyl-1H-indeno[1,2-c]pyran has a molecular weight of 306.38 g/mol, XLogP of 4.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(4-fluorophenyl)methylidene]-5,5-dimethyl-1H-indeno[1,2-c]pyran is sourced from PubChem (CID 132555118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).