(2Z)-7,7-dimethyl-2-[(5-methylfuran-2-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromen-3-one

C19H18O4 — CID 171357605

IUPAC(2Z)-7,7-dimethyl-2-[(5-methylfuran-2-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromen-3-one
SMILESCc1ccc(/C=C2\Oc3c(ccc4c3CCC(C)(C)O4)C2=O)o1
InChIInChI=1S/C19H18O4/c1-11-4-5-12(21-11)10-16-17(20)14-6-7-15-13(18(14)22-16)8-9-19(2,3)23-15/h4-7,10H,8-9H2,1-3H3/b16-10-
InChIKeyXSJPVULRHKDSHA-YBEGLDIGSA-N
MW310.35 g/mol
LogP4.31
Rot. Bonds1

About (2Z)-7,7-dimethyl-2-[(5-methylfuran-2-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromen-3-one

(2Z)-7,7-dimethyl-2-[(5-methylfuran-2-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromen-3-one (PubChem CID 171357605) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is (2Z)-7,7-dimethyl-2-[(5-methylfuran-2-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromen-3-one.

Molecular Properties

Compound Name(2Z)-7,7-dimethyl-2-[(5-methylfuran-2-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromen-3-one
PubChem CID171357605
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Name(2Z)-7,7-dimethyl-2-[(5-methylfuran-2-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromen-3-one
SMILESCc1ccc(/C=C2\Oc3c(ccc4c3CCC(C)(C)O4)C2=O)o1
InChIInChI=1S/C19H18O4/c1-11-4-5-12(21-11)10-16-17(20)14-6-7-15-13(18(14)22-16)8-9-19(2,3)23-15/h4-7,10H,8-9H2,1-3H3/b16-10-
InChIKeyXSJPVULRHKDSHA-YBEGLDIGSA-N
XLogP4.31
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_I(6)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2Z)-7,7-dimethyl-2-[(5-methylfuran-2-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromen-3-one with MolForge

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Related Compounds

(2E)-8-(1,1-dioxothiolan-3-yl)-2-[(5-methylfuran-2-yl)methylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one
CID 110276382
(2E)-2,5-bis[(5-methylfuran-2-yl)methylidene]cyclopentan-1-one
CID 756948
[(2Z)-2-[(5-methylfuran-2-yl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-methylbenzoate
CID 2005906
6-hydroxy-2-[(5-methylfuran-2-yl)methylidene]-7-[(3-methylpiperidin-1-yl)methyl]-1-benzofuran-3-one
CID 4859892
2-[(5-methylfuran-2-yl)methylidene]-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 163093364
(2Z)-2-[(5-methylfuran-2-yl)methylidene]-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 127254048
2-[[2-[(5-methylfuran-2-yl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]propanoic acid
CID 4839627
[(2E)-2-[(5-methylfuran-2-yl)methylidene]-3-oxo-1-benzofuran-6-yl] furan-2-carboxylate
CID 940608
methyl 2-[[2-[(5-methylfuran-2-yl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]propanoate
CID 3978944
methyl (2S)-2-[[(2E)-2-[(5-methylfuran-2-yl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]propanoate
CID 945819
[(2E)-2-[(5-methylfuran-2-yl)methylidene]-3-oxo-1-benzofuran-6-yl] N,N-diethylcarbamate
CID 2001555
(2E)-6-[(2,6-dichlorophenyl)methoxy]-2-[(5-methylfuran-2-yl)methylidene]-1-benzofuran-3-one
CID 2000116

Frequently Asked Questions

What is the IUPAC name of (2Z)-7,7-dimethyl-2-[(5-methylfuran-2-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromen-3-one?
The IUPAC name of (2Z)-7,7-dimethyl-2-[(5-methylfuran-2-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromen-3-one (CID 171357605) is (2Z)-7,7-dimethyl-2-[(5-methylfuran-2-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromen-3-one.
What is the SMILES notation for (2Z)-7,7-dimethyl-2-[(5-methylfuran-2-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromen-3-one?
The canonical SMILES for (2Z)-7,7-dimethyl-2-[(5-methylfuran-2-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromen-3-one is Cc1ccc(/C=C2\Oc3c(ccc4c3CCC(C)(C)O4)C2=O)o1.
What is the InChIKey of (2Z)-7,7-dimethyl-2-[(5-methylfuran-2-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromen-3-one?
The InChIKey is XSJPVULRHKDSHA-YBEGLDIGSA-N. The full InChI is InChI=1S/C19H18O4/c1-11-4-5-12(21-11)10-16-17(20)14-6-7-15-13(18(14)22-16)8-9-19(2,3)23-15/h4-7,10H,8-9H2,1-3H3/b16-10-.
What are the key properties of (2Z)-7,7-dimethyl-2-[(5-methylfuran-2-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromen-3-one?
(2Z)-7,7-dimethyl-2-[(5-methylfuran-2-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromen-3-one has a molecular weight of 310.35 g/mol, XLogP of 4.31, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-7,7-dimethyl-2-[(5-methylfuran-2-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromen-3-one is sourced from PubChem (CID 171357605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).