(2E)-2-[(2-ethylphenyl)methylidene]-6-methoxy-3,4-dihydronaphthalen-1-one

C20H20O2 — CID 46945072

IUPAC(2E)-2-[(2-ethylphenyl)methylidene]-6-methoxy-3,4-dihydronaphthalen-1-one
SMILESCCc1ccccc1/C=C1\CCc2cc(OC)ccc2C1=O
InChIInChI=1S/C20H20O2/c1-3-14-6-4-5-7-15(14)12-17-9-8-16-13-18(22-2)10-11-19(16)20(17)21/h4-7,10-13H,3,8-9H2,1-2H3/b17-12+
InChIKeyKQMPBFPOYMUSCL-SFQUDFHCSA-N
MW292.38 g/mol
LogP4.47
Rot. Bonds3

About (2E)-2-[(2-ethylphenyl)methylidene]-6-methoxy-3,4-dihydronaphthalen-1-one

(2E)-2-[(2-ethylphenyl)methylidene]-6-methoxy-3,4-dihydronaphthalen-1-one (PubChem CID 46945072) has the molecular formula C20H20O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is (2E)-2-[(2-ethylphenyl)methylidene]-6-methoxy-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name(2E)-2-[(2-ethylphenyl)methylidene]-6-methoxy-3,4-dihydronaphthalen-1-one
PubChem CID46945072
Molecular FormulaC20H20O2
Molecular Weight292.38 g/mol
Exact Mass292.15
IUPAC Name(2E)-2-[(2-ethylphenyl)methylidene]-6-methoxy-3,4-dihydronaphthalen-1-one
SMILESCCc1ccccc1/C=C1\CCc2cc(OC)ccc2C1=O
InChIInChI=1S/C20H20O2/c1-3-14-6-4-5-7-15(14)12-17-9-8-16-13-18(22-2)10-11-19(16)20(17)21/h4-7,10-13H,3,8-9H2,1-2H3/b17-12+
InChIKeyKQMPBFPOYMUSCL-SFQUDFHCSA-N
XLogP4.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.47
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-ethylphenyl)methylidene]-6-methoxy-3,4-dihydronaphthalen-1-one?
The IUPAC name of (2E)-2-[(2-ethylphenyl)methylidene]-6-methoxy-3,4-dihydronaphthalen-1-one (CID 46945072) is (2E)-2-[(2-ethylphenyl)methylidene]-6-methoxy-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for (2E)-2-[(2-ethylphenyl)methylidene]-6-methoxy-3,4-dihydronaphthalen-1-one?
The canonical SMILES for (2E)-2-[(2-ethylphenyl)methylidene]-6-methoxy-3,4-dihydronaphthalen-1-one is CCc1ccccc1/C=C1\CCc2cc(OC)ccc2C1=O.
What is the InChIKey of (2E)-2-[(2-ethylphenyl)methylidene]-6-methoxy-3,4-dihydronaphthalen-1-one?
The InChIKey is KQMPBFPOYMUSCL-SFQUDFHCSA-N. The full InChI is InChI=1S/C20H20O2/c1-3-14-6-4-5-7-15(14)12-17-9-8-16-13-18(22-2)10-11-19(16)20(17)21/h4-7,10-13H,3,8-9H2,1-2H3/b17-12+.
What are the key properties of (2E)-2-[(2-ethylphenyl)methylidene]-6-methoxy-3,4-dihydronaphthalen-1-one?
(2E)-2-[(2-ethylphenyl)methylidene]-6-methoxy-3,4-dihydronaphthalen-1-one has a molecular weight of 292.38 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(2-ethylphenyl)methylidene]-6-methoxy-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 46945072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).