(7E)-7-[(4-methylphenyl)methylidene]-[1,3]dioxolo[4,5-g]chromen-8-one

C18H14O4 — CID 60602433

IUPAC(7E)-7-[(4-methylphenyl)methylidene]-[1,3]dioxolo[4,5-g]chromen-8-one
SMILESCc1ccc(/C=C2\COc3cc4c(cc3C2=O)OCO4)cc1
InChIInChI=1S/C18H14O4/c1-11-2-4-12(5-3-11)6-13-9-20-15-8-17-16(21-10-22-17)7-14(15)18(13)19/h2-8H,9-10H2,1H3/b13-6+
InChIKeyFURQQZLCZLLTSF-AWNIVKPZSA-N
MW294.31 g/mol
LogP3.38
Rot. Bonds1

About (7E)-7-[(4-methylphenyl)methylidene]-[1,3]dioxolo[4,5-g]chromen-8-one

(7E)-7-[(4-methylphenyl)methylidene]-[1,3]dioxolo[4,5-g]chromen-8-one (PubChem CID 60602433) has the molecular formula C18H14O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is (7E)-7-[(4-methylphenyl)methylidene]-[1,3]dioxolo[4,5-g]chromen-8-one.

Molecular Properties

Compound Name(7E)-7-[(4-methylphenyl)methylidene]-[1,3]dioxolo[4,5-g]chromen-8-one
PubChem CID60602433
Molecular FormulaC18H14O4
Molecular Weight294.31 g/mol
Exact Mass294.09
IUPAC Name(7E)-7-[(4-methylphenyl)methylidene]-[1,3]dioxolo[4,5-g]chromen-8-one
SMILESCc1ccc(/C=C2\COc3cc4c(cc3C2=O)OCO4)cc1
InChIInChI=1S/C18H14O4/c1-11-2-4-12(5-3-11)6-13-9-20-15-8-17-16(21-10-22-17)7-14(15)18(13)19/h2-8H,9-10H2,1H3/b13-6+
InChIKeyFURQQZLCZLLTSF-AWNIVKPZSA-N
XLogP3.38
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.38
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

(7E)-7-[[4-(trifluoromethyl)phenyl]methylidene]-[1,3]dioxolo[4,5-g]chromen-8-one
CID 60602407
(7E)-7-[(4-piperidin-1-ylphenyl)methylidene]-[1,3]dioxolo[4,5-g]chromen-8-one
CID 60602406
(7E)-7-[(3-chloro-4-hydroxyphenyl)methylidene]-[1,3]dioxolo[4,5-g]chromen-8-one
CID 60602664
(7E)-7-[(3-fluorophenyl)methylidene]-[1,3]dioxolo[4,5-g]chromen-8-one
CID 60602379
(3Z)-7-methoxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one
CID 6444482
(3E)-6-methoxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one
CID 6449188
(3Z)-3-[(3-methylphenyl)methylidene]chromen-4-one
CID 2623286
(3E)-8-methoxy-3-[(4-methylphenyl)methylidene]-6-[(E)-prop-1-enyl]chromen-4-one
CID 139074038
3-(dimethylaminomethylidene)-6-methylchromen-4-one
CID 68547419
(3Z)-3-[(4-fluorophenyl)methylidene]-6,8-dimethylchromen-4-one
CID 60583295
(3E)-3-[(4-ethoxyphenyl)methylidene]-6-methoxychromen-4-one
CID 31762948
(3E)-6-methoxy-3-[(4-methylsulfanylphenyl)methylidene]chromen-4-one
CID 24662432

Frequently Asked Questions

What is the IUPAC name of (7E)-7-[(4-methylphenyl)methylidene]-[1,3]dioxolo[4,5-g]chromen-8-one?
The IUPAC name of (7E)-7-[(4-methylphenyl)methylidene]-[1,3]dioxolo[4,5-g]chromen-8-one (CID 60602433) is (7E)-7-[(4-methylphenyl)methylidene]-[1,3]dioxolo[4,5-g]chromen-8-one.
What is the SMILES notation for (7E)-7-[(4-methylphenyl)methylidene]-[1,3]dioxolo[4,5-g]chromen-8-one?
The canonical SMILES for (7E)-7-[(4-methylphenyl)methylidene]-[1,3]dioxolo[4,5-g]chromen-8-one is Cc1ccc(/C=C2\COc3cc4c(cc3C2=O)OCO4)cc1.
What is the InChIKey of (7E)-7-[(4-methylphenyl)methylidene]-[1,3]dioxolo[4,5-g]chromen-8-one?
The InChIKey is FURQQZLCZLLTSF-AWNIVKPZSA-N. The full InChI is InChI=1S/C18H14O4/c1-11-2-4-12(5-3-11)6-13-9-20-15-8-17-16(21-10-22-17)7-14(15)18(13)19/h2-8H,9-10H2,1H3/b13-6+.
What are the key properties of (7E)-7-[(4-methylphenyl)methylidene]-[1,3]dioxolo[4,5-g]chromen-8-one?
(7E)-7-[(4-methylphenyl)methylidene]-[1,3]dioxolo[4,5-g]chromen-8-one has a molecular weight of 294.31 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-7-[(4-methylphenyl)methylidene]-[1,3]dioxolo[4,5-g]chromen-8-one is sourced from PubChem (CID 60602433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).