(2Z)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-5,6-dimethoxy-3H-inden-1-one

C19H18O5 — CID 71754473

IUPAC(2Z)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-5,6-dimethoxy-3H-inden-1-one
SMILESCOc1ccc(/C=C2/Cc3cc(OC)c(OC)cc3C2=O)cc1O
InChIInChI=1S/C19H18O5/c1-22-16-5-4-11(7-15(16)20)6-13-8-12-9-17(23-2)18(24-3)10-14(12)19(13)21/h4-7,9-10,20H,8H2,1-3H3/b13-6-
InChIKeyCZANROICBWKETJ-MLPAPPSSSA-N
MW326.35 g/mol
LogP3.24
Rot. Bonds4

About (2Z)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-5,6-dimethoxy-3H-inden-1-one

(2Z)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-5,6-dimethoxy-3H-inden-1-one (PubChem CID 71754473) has the molecular formula C19H18O5 and a molecular weight of 326.35 g/mol. Its IUPAC name is (2Z)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-5,6-dimethoxy-3H-inden-1-one.

Molecular Properties

Compound Name(2Z)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-5,6-dimethoxy-3H-inden-1-one
PubChem CID71754473
Molecular FormulaC19H18O5
Molecular Weight326.35 g/mol
Exact Mass326.12
IUPAC Name(2Z)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-5,6-dimethoxy-3H-inden-1-one
SMILESCOc1ccc(/C=C2/Cc3cc(OC)c(OC)cc3C2=O)cc1O
InChIInChI=1S/C19H18O5/c1-22-16-5-4-11(7-15(16)20)6-13-8-12-9-17(23-2)18(24-3)10-14(12)19(13)21/h4-7,9-10,20H,8H2,1-3H3/b13-6-
InChIKeyCZANROICBWKETJ-MLPAPPSSSA-N
XLogP3.24
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-5,6-dimethoxy-3H-inden-1-one
CID 5469772
5,6-dimethoxy-2-(pyridin-4-ylmethylidene)-3H-inden-1-one
CID 53395132
(2Z)-5,6-dimethoxy-2-(pyridin-4-ylmethylidene)-3H-inden-1-one
CID 11652068
(2Z)-5,6-dimethoxy-2-[(4-nitrophenyl)methylidene]-3H-inden-1-one
CID 138858216
(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-3H-inden-1-one
CID 5386986
(2E)-2-[[4-(cyclohexylamino)phenyl]methylidene]-6-hydroxy-5-methoxy-3H-inden-1-one
CID 71451803
(2Z)-5,6-dimethoxy-2-[(4-pyrazol-1-ylphenyl)methylidene]-3H-inden-1-one
CID 71705478
[4-[(5,6-dimethoxy-3-oxo-1H-inden-2-ylidene)methyl]-2,6-dimethylphenyl] acetate
CID 54433264
6-hydroxy-2-[(4-methoxyphenyl)methylidene]-3H-inden-1-one
CID 174901660
(2E,6E)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-6-[(4-hydroxy-3-methoxyphenyl)methylidene]cyclohexan-1-one
CID 122378834
(2E)-4-hydroxy-2-[(4-methoxy-3-methylphenyl)methylidene]-3H-inden-1-one
CID 24583172
(2E)-5,6-dimethoxy-2-[[2-methoxy-5-(trifluoromethyl)phenyl]methylidene]-3H-inden-1-one
CID 170562718

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-5,6-dimethoxy-3H-inden-1-one?
The IUPAC name of (2Z)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-5,6-dimethoxy-3H-inden-1-one (CID 71754473) is (2Z)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-5,6-dimethoxy-3H-inden-1-one.
What is the SMILES notation for (2Z)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-5,6-dimethoxy-3H-inden-1-one?
The canonical SMILES for (2Z)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-5,6-dimethoxy-3H-inden-1-one is COc1ccc(/C=C2/Cc3cc(OC)c(OC)cc3C2=O)cc1O.
What is the InChIKey of (2Z)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-5,6-dimethoxy-3H-inden-1-one?
The InChIKey is CZANROICBWKETJ-MLPAPPSSSA-N. The full InChI is InChI=1S/C19H18O5/c1-22-16-5-4-11(7-15(16)20)6-13-8-12-9-17(23-2)18(24-3)10-14(12)19(13)21/h4-7,9-10,20H,8H2,1-3H3/b13-6-.
What are the key properties of (2Z)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-5,6-dimethoxy-3H-inden-1-one?
(2Z)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-5,6-dimethoxy-3H-inden-1-one has a molecular weight of 326.35 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-5,6-dimethoxy-3H-inden-1-one is sourced from PubChem (CID 71754473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).