(6E)-6-[(2,3-dimethoxyphenyl)methylidene]-5H-cyclopenta[f][1,3]benzodioxol-7-one

C19H16O5 — CID 155806484

IUPAC(6E)-6-[(2,3-dimethoxyphenyl)methylidene]-5H-cyclopenta[f][1,3]benzodioxol-7-one
SMILESCOc1cccc(/C=C2\Cc3cc4c(cc3C2=O)OCO4)c1OC
InChIInChI=1S/C19H16O5/c1-21-15-5-3-4-11(19(15)22-2)6-13-7-12-8-16-17(24-10-23-16)9-14(12)18(13)20/h3-6,8-9H,7,10H2,1-2H3/b13-6+
InChIKeyYXOZMSMYCQGREO-AWNIVKPZSA-N
MW324.33 g/mol
LogP3.25
Rot. Bonds3

About (6E)-6-[(2,3-dimethoxyphenyl)methylidene]-5H-cyclopenta[f][1,3]benzodioxol-7-one

(6E)-6-[(2,3-dimethoxyphenyl)methylidene]-5H-cyclopenta[f][1,3]benzodioxol-7-one (PubChem CID 155806484) has the molecular formula C19H16O5 and a molecular weight of 324.33 g/mol. Its IUPAC name is (6E)-6-[(2,3-dimethoxyphenyl)methylidene]-5H-cyclopenta[f][1,3]benzodioxol-7-one.

Molecular Properties

Compound Name(6E)-6-[(2,3-dimethoxyphenyl)methylidene]-5H-cyclopenta[f][1,3]benzodioxol-7-one
PubChem CID155806484
Molecular FormulaC19H16O5
Molecular Weight324.33 g/mol
Exact Mass324.10
IUPAC Name(6E)-6-[(2,3-dimethoxyphenyl)methylidene]-5H-cyclopenta[f][1,3]benzodioxol-7-one
SMILESCOc1cccc(/C=C2\Cc3cc4c(cc3C2=O)OCO4)c1OC
InChIInChI=1S/C19H16O5/c1-21-15-5-3-4-11(19(15)22-2)6-13-7-12-8-16-17(24-10-23-16)9-14(12)18(13)20/h3-6,8-9H,7,10H2,1-2H3/b13-6+
InChIKeyYXOZMSMYCQGREO-AWNIVKPZSA-N
XLogP3.25
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(6E)-6-[(2,5-dimethoxyphenyl)methylidene]-5H-cyclopenta[f][1,3]benzodioxol-7-one
CID 155817371
(2E)-2-[(2,3-dimethoxyphenyl)methylidene]-3H-inden-1-one
CID 2342691
6-[(3,5-dimethoxyphenyl)methylidene]-5H-cyclopenta[f][1,3]benzodioxol-7-one
CID 54035793
5-[2-(2,3-dimethoxyphenyl)ethenyl]-8-methyl-9H-[1,3]dioxolo[4,5-h][2,3]benzodiazepine
CID 54347453
(2E)-2-[(3-ethoxy-2-methoxyphenyl)methylidene]-3H-inden-1-one
CID 2663844
3,5-bis[(2,3-dimethoxyphenyl)methylidene]-1-propylpiperidin-4-one
CID 1067759
(2E)-5,6-dimethoxy-2-(quinolin-8-ylmethylidene)-3H-inden-1-one
CID 98199839
(2Z,4Z)-2,4-bis[(2,3-dimethoxyphenyl)methylidene]thiolan-3-one
CID 46246656
(3Z,5E)-3,5-bis[(2,3-dimethoxyphenyl)methylidene]-1-ethylpiperidin-1-ium-4-one
CID 2390435
(2E,6E)-2-[(2,3-dimethoxyphenyl)methylidene]-6-[(2-methoxy-3-methylphenyl)methylidene]-4-methylcyclohexan-1-one
CID 157263030
2-[2-[(5,6-dimethoxy-3-oxo-1H-inden-2-ylidene)methyl]phenoxy]acetic acid
CID 71827438
6-(2-methoxyphenyl)-1,3-benzodioxole-5-carbaldehyde
CID 172909252

Frequently Asked Questions

What is the IUPAC name of (6E)-6-[(2,3-dimethoxyphenyl)methylidene]-5H-cyclopenta[f][1,3]benzodioxol-7-one?
The IUPAC name of (6E)-6-[(2,3-dimethoxyphenyl)methylidene]-5H-cyclopenta[f][1,3]benzodioxol-7-one (CID 155806484) is (6E)-6-[(2,3-dimethoxyphenyl)methylidene]-5H-cyclopenta[f][1,3]benzodioxol-7-one.
What is the SMILES notation for (6E)-6-[(2,3-dimethoxyphenyl)methylidene]-5H-cyclopenta[f][1,3]benzodioxol-7-one?
The canonical SMILES for (6E)-6-[(2,3-dimethoxyphenyl)methylidene]-5H-cyclopenta[f][1,3]benzodioxol-7-one is COc1cccc(/C=C2\Cc3cc4c(cc3C2=O)OCO4)c1OC.
What is the InChIKey of (6E)-6-[(2,3-dimethoxyphenyl)methylidene]-5H-cyclopenta[f][1,3]benzodioxol-7-one?
The InChIKey is YXOZMSMYCQGREO-AWNIVKPZSA-N. The full InChI is InChI=1S/C19H16O5/c1-21-15-5-3-4-11(19(15)22-2)6-13-7-12-8-16-17(24-10-23-16)9-14(12)18(13)20/h3-6,8-9H,7,10H2,1-2H3/b13-6+.
What are the key properties of (6E)-6-[(2,3-dimethoxyphenyl)methylidene]-5H-cyclopenta[f][1,3]benzodioxol-7-one?
(6E)-6-[(2,3-dimethoxyphenyl)methylidene]-5H-cyclopenta[f][1,3]benzodioxol-7-one has a molecular weight of 324.33 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-[(2,3-dimethoxyphenyl)methylidene]-5H-cyclopenta[f][1,3]benzodioxol-7-one is sourced from PubChem (CID 155806484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).