(2Z)-2-[(7-methoxy-1-benzofuran-2-yl)methylidene]-3H-inden-1-one

C19H14O3 — CID 75362159

IUPAC(2Z)-2-[(7-methoxy-1-benzofuran-2-yl)methylidene]-3H-inden-1-one
SMILESCOc1cccc2cc(/C=C3/Cc4ccccc4C3=O)oc12
InChIInChI=1S/C19H14O3/c1-21-17-8-4-6-13-10-15(22-19(13)17)11-14-9-12-5-2-3-7-16(12)18(14)20/h2-8,10-11H,9H2,1H3/b14-11-
InChIKeyHJDVJCNBRGCUGR-KAMYIIQDSA-N
MW290.32 g/mol
LogP4.26
Rot. Bonds2

About (2Z)-2-[(7-methoxy-1-benzofuran-2-yl)methylidene]-3H-inden-1-one

(2Z)-2-[(7-methoxy-1-benzofuran-2-yl)methylidene]-3H-inden-1-one (PubChem CID 75362159) has the molecular formula C19H14O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is (2Z)-2-[(7-methoxy-1-benzofuran-2-yl)methylidene]-3H-inden-1-one.

Molecular Properties

Compound Name(2Z)-2-[(7-methoxy-1-benzofuran-2-yl)methylidene]-3H-inden-1-one
PubChem CID75362159
Molecular FormulaC19H14O3
Molecular Weight290.32 g/mol
Exact Mass290.09
IUPAC Name(2Z)-2-[(7-methoxy-1-benzofuran-2-yl)methylidene]-3H-inden-1-one
SMILESCOc1cccc2cc(/C=C3/Cc4ccccc4C3=O)oc12
InChIInChI=1S/C19H14O3/c1-21-17-8-4-6-13-10-15(22-19(13)17)11-14-9-12-5-2-3-7-16(12)18(14)20/h2-8,10-11H,9H2,1H3/b14-11-
InChIKeyHJDVJCNBRGCUGR-KAMYIIQDSA-N
XLogP4.26
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-[(2,3-dimethoxyphenyl)methylidene]-3H-inden-1-one
CID 2342691
(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]-3H-inden-1-one
CID 2442669
(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-3H-inden-1-one
CID 5386986
(2E)-2-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-3H-inden-1-one
CID 2697166
2-[(3-methoxy-4-methylsulfanylphenyl)methylidene]-3H-inden-1-one
CID 76878264
(2E)-2-[(3-ethoxy-2-methoxyphenyl)methylidene]-3H-inden-1-one
CID 2663844
(5Z)-5-[(7-methoxy-1-benzofuran-2-yl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 17496364
8-methoxy-3-phenylchromen-2-one
CID 2195449
12,13-dimethoxynonacyclo[50.4.0.03,8.010,15.017,22.024,29.031,36.038,43.045,50]hexapentaconta-1(56),3,5,7,10,12,14,17,19,21,24,26,28,31,33,35,38,40,42,45,47,49,52,54-tetracosaene-2,23-dione
CID 10101903
2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-3H-inden-1-one
CID 4185963
(2-methoxyphenyl) (E)-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enoate
CID 24592521
(3E)-3-[(7-methoxy-1-benzofuran-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
CID 60512254

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(7-methoxy-1-benzofuran-2-yl)methylidene]-3H-inden-1-one?
The IUPAC name of (2Z)-2-[(7-methoxy-1-benzofuran-2-yl)methylidene]-3H-inden-1-one (CID 75362159) is (2Z)-2-[(7-methoxy-1-benzofuran-2-yl)methylidene]-3H-inden-1-one.
What is the SMILES notation for (2Z)-2-[(7-methoxy-1-benzofuran-2-yl)methylidene]-3H-inden-1-one?
The canonical SMILES for (2Z)-2-[(7-methoxy-1-benzofuran-2-yl)methylidene]-3H-inden-1-one is COc1cccc2cc(/C=C3/Cc4ccccc4C3=O)oc12.
What is the InChIKey of (2Z)-2-[(7-methoxy-1-benzofuran-2-yl)methylidene]-3H-inden-1-one?
The InChIKey is HJDVJCNBRGCUGR-KAMYIIQDSA-N. The full InChI is InChI=1S/C19H14O3/c1-21-17-8-4-6-13-10-15(22-19(13)17)11-14-9-12-5-2-3-7-16(12)18(14)20/h2-8,10-11H,9H2,1H3/b14-11-.
What are the key properties of (2Z)-2-[(7-methoxy-1-benzofuran-2-yl)methylidene]-3H-inden-1-one?
(2Z)-2-[(7-methoxy-1-benzofuran-2-yl)methylidene]-3H-inden-1-one has a molecular weight of 290.32 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(7-methoxy-1-benzofuran-2-yl)methylidene]-3H-inden-1-one is sourced from PubChem (CID 75362159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).