(2E)-4-methoxy-2-[(2-methoxyphenyl)methylidene]-7-methyl-3H-inden-1-one

C19H18O3 — CID 102107852

IUPAC(2E)-4-methoxy-2-[(2-methoxyphenyl)methylidene]-7-methyl-3H-inden-1-one
SMILESCOc1ccccc1/C=C1\Cc2c(OC)ccc(C)c2C1=O
InChIInChI=1S/C19H18O3/c1-12-8-9-17(22-3)15-11-14(19(20)18(12)15)10-13-6-4-5-7-16(13)21-2/h4-10H,11H2,1-3H3/b14-10+
InChIKeyJIFFZEIIUGNDFZ-GXDHUFHOSA-N
MW294.35 g/mol
LogP3.83
Rot. Bonds3

About (2E)-4-methoxy-2-[(2-methoxyphenyl)methylidene]-7-methyl-3H-inden-1-one

(2E)-4-methoxy-2-[(2-methoxyphenyl)methylidene]-7-methyl-3H-inden-1-one (PubChem CID 102107852) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is (2E)-4-methoxy-2-[(2-methoxyphenyl)methylidene]-7-methyl-3H-inden-1-one.

Molecular Properties

Compound Name(2E)-4-methoxy-2-[(2-methoxyphenyl)methylidene]-7-methyl-3H-inden-1-one
PubChem CID102107852
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Name(2E)-4-methoxy-2-[(2-methoxyphenyl)methylidene]-7-methyl-3H-inden-1-one
SMILESCOc1ccccc1/C=C1\Cc2c(OC)ccc(C)c2C1=O
InChIInChI=1S/C19H18O3/c1-12-8-9-17(22-3)15-11-14(19(20)18(12)15)10-13-6-4-5-7-16(13)21-2/h4-10H,11H2,1-3H3/b14-10+
InChIKeyJIFFZEIIUGNDFZ-GXDHUFHOSA-N
XLogP3.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.83
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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Frequently Asked Questions

What is the IUPAC name of (2E)-4-methoxy-2-[(2-methoxyphenyl)methylidene]-7-methyl-3H-inden-1-one?
The IUPAC name of (2E)-4-methoxy-2-[(2-methoxyphenyl)methylidene]-7-methyl-3H-inden-1-one (CID 102107852) is (2E)-4-methoxy-2-[(2-methoxyphenyl)methylidene]-7-methyl-3H-inden-1-one.
What is the SMILES notation for (2E)-4-methoxy-2-[(2-methoxyphenyl)methylidene]-7-methyl-3H-inden-1-one?
The canonical SMILES for (2E)-4-methoxy-2-[(2-methoxyphenyl)methylidene]-7-methyl-3H-inden-1-one is COc1ccccc1/C=C1\Cc2c(OC)ccc(C)c2C1=O.
What is the InChIKey of (2E)-4-methoxy-2-[(2-methoxyphenyl)methylidene]-7-methyl-3H-inden-1-one?
The InChIKey is JIFFZEIIUGNDFZ-GXDHUFHOSA-N. The full InChI is InChI=1S/C19H18O3/c1-12-8-9-17(22-3)15-11-14(19(20)18(12)15)10-13-6-4-5-7-16(13)21-2/h4-10H,11H2,1-3H3/b14-10+.
What are the key properties of (2E)-4-methoxy-2-[(2-methoxyphenyl)methylidene]-7-methyl-3H-inden-1-one?
(2E)-4-methoxy-2-[(2-methoxyphenyl)methylidene]-7-methyl-3H-inden-1-one has a molecular weight of 294.35 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-methoxy-2-[(2-methoxyphenyl)methylidene]-7-methyl-3H-inden-1-one is sourced from PubChem (CID 102107852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).