(8E)-8-[(4-chlorophenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione

C19H11ClO4 — CID 5390931

IUPAC(8E)-8-[(4-chlorophenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione
SMILESCc1cc(=O)oc2c3c(ccc12)O/C(=C/c1ccc(Cl)cc1)C3=O
InChIInChI=1S/C19H11ClO4/c1-10-8-16(21)24-19-13(10)6-7-14-17(19)18(22)15(23-14)9-11-2-4-12(20)5-3-11/h2-9H,1H3/b15-9+
InChIKeyOQKGPPKDCIFOLR-OQLLNIDSSA-N
MW338.75 g/mol
LogP4.37
Rot. Bonds1

About (8E)-8-[(4-chlorophenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione

(8E)-8-[(4-chlorophenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione (PubChem CID 5390931) has the molecular formula C19H11ClO4 and a molecular weight of 338.75 g/mol. Its IUPAC name is (8E)-8-[(4-chlorophenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione.

Molecular Properties

Compound Name(8E)-8-[(4-chlorophenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione
PubChem CID5390931
Molecular FormulaC19H11ClO4
Molecular Weight338.75 g/mol
Exact Mass338.03
IUPAC Name(8E)-8-[(4-chlorophenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione
SMILESCc1cc(=O)oc2c3c(ccc12)O/C(=C/c1ccc(Cl)cc1)C3=O
InChIInChI=1S/C19H11ClO4/c1-10-8-16(21)24-19-13(10)6-7-14-17(19)18(22)15(23-14)9-11-2-4-12(20)5-3-11/h2-9H,1H3/b15-9+
InChIKeyOQKGPPKDCIFOLR-OQLLNIDSSA-N
XLogP4.37
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.75
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[(4-methyl-2,9-dioxofuro[2,3-h]chromen-8-ylidene)methyl]phenyl] acetate
CID 629346
8-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione
CID 6618517
(8Z)-8-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione
CID 162676744
(2Z)-2-[(4-chlorophenyl)methylidene]-6-methylfuro[3,2-c]pyran-3,4-dione
CID 51350863
(2Z)-2-[(4-chlorophenyl)methylidene]-5-methoxy-4-propoxy-1-benzofuran-3-one
CID 10315518
(2E)-2-[(4-chlorophenyl)methylidene]-1-benzofuran-3-one
CID 24762442
(2Z)-2-benzylidene-5-chloro-4,6-dimethyl-1-benzofuran-3-one
CID 163322912
(2Z)-2-[(3,5-dichlorophenyl)methylidene]-6-hydroxy-4-methyl-1-benzofuran-3-one
CID 71687808
(2Z)-5-chloro-2-[(4-fluorophenyl)methylidene]-1-benzofuran-3-one
CID 18823460
9-[2-(4-chlorophenyl)ethyl]-4-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
CID 2044222
4,10-dimethylpyrano[2,3-f]chromene-2,8-dione
CID 1234115
8-[3-(4-chlorophenyl)prop-2-enoyl]-4-methyl-7-prop-2-enoxychromen-2-one
CID 86586316

Frequently Asked Questions

What is the IUPAC name of (8E)-8-[(4-chlorophenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione?
The IUPAC name of (8E)-8-[(4-chlorophenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione (CID 5390931) is (8E)-8-[(4-chlorophenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione.
What is the SMILES notation for (8E)-8-[(4-chlorophenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione?
The canonical SMILES for (8E)-8-[(4-chlorophenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione is Cc1cc(=O)oc2c3c(ccc12)O/C(=C/c1ccc(Cl)cc1)C3=O.
What is the InChIKey of (8E)-8-[(4-chlorophenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione?
The InChIKey is OQKGPPKDCIFOLR-OQLLNIDSSA-N. The full InChI is InChI=1S/C19H11ClO4/c1-10-8-16(21)24-19-13(10)6-7-14-17(19)18(22)15(23-14)9-11-2-4-12(20)5-3-11/h2-9H,1H3/b15-9+.
What are the key properties of (8E)-8-[(4-chlorophenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione?
(8E)-8-[(4-chlorophenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione has a molecular weight of 338.75 g/mol, XLogP of 4.37, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-8-[(4-chlorophenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione is sourced from PubChem (CID 5390931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).