(2E)-2-[(2-methoxyphenyl)methylidene]-3H-inden-1-one

C17H14O2 — CID 5388525

IUPAC(2E)-2-[(2-methoxyphenyl)methylidene]-3H-inden-1-one
SMILESCOc1ccccc1/C=C1\Cc2ccccc2C1=O
InChIInChI=1S/C17H14O2/c1-19-16-9-5-3-7-13(16)11-14-10-12-6-2-4-8-15(12)17(14)18/h2-9,11H,10H2,1H3/b14-11+
InChIKeyCLFNHKWJZKXJQU-SDNWHVSQSA-N
MW250.30 g/mol
LogP3.52
Rot. Bonds2

About (2E)-2-[(2-methoxyphenyl)methylidene]-3H-inden-1-one

(2E)-2-[(2-methoxyphenyl)methylidene]-3H-inden-1-one (PubChem CID 5388525) has the molecular formula C17H14O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is (2E)-2-[(2-methoxyphenyl)methylidene]-3H-inden-1-one.

Molecular Properties

Compound Name(2E)-2-[(2-methoxyphenyl)methylidene]-3H-inden-1-one
PubChem CID5388525
Molecular FormulaC17H14O2
Molecular Weight250.30 g/mol
Exact Mass250.10
IUPAC Name(2E)-2-[(2-methoxyphenyl)methylidene]-3H-inden-1-one
SMILESCOc1ccccc1/C=C1\Cc2ccccc2C1=O
InChIInChI=1S/C17H14O2/c1-19-16-9-5-3-7-13(16)11-14-10-12-6-2-4-8-15(12)17(14)18/h2-9,11H,10H2,1H3/b14-11+
InChIKeyCLFNHKWJZKXJQU-SDNWHVSQSA-N
XLogP3.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-2-[(2-methoxyphenyl)methylidene]-3H-inden-1-one?
The IUPAC name of (2E)-2-[(2-methoxyphenyl)methylidene]-3H-inden-1-one (CID 5388525) is (2E)-2-[(2-methoxyphenyl)methylidene]-3H-inden-1-one.
What is the SMILES notation for (2E)-2-[(2-methoxyphenyl)methylidene]-3H-inden-1-one?
The canonical SMILES for (2E)-2-[(2-methoxyphenyl)methylidene]-3H-inden-1-one is COc1ccccc1/C=C1\Cc2ccccc2C1=O.
What is the InChIKey of (2E)-2-[(2-methoxyphenyl)methylidene]-3H-inden-1-one?
The InChIKey is CLFNHKWJZKXJQU-SDNWHVSQSA-N. The full InChI is InChI=1S/C17H14O2/c1-19-16-9-5-3-7-13(16)11-14-10-12-6-2-4-8-15(12)17(14)18/h2-9,11H,10H2,1H3/b14-11+.
What are the key properties of (2E)-2-[(2-methoxyphenyl)methylidene]-3H-inden-1-one?
(2E)-2-[(2-methoxyphenyl)methylidene]-3H-inden-1-one has a molecular weight of 250.30 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(2-methoxyphenyl)methylidene]-3H-inden-1-one is sourced from PubChem (CID 5388525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).