3-[2-(ethoxymethoxy)ethylidene]-6-methoxy-1,2-dihydroindene

C15H20O3 — CID 91068807

IUPAC3-[2-(ethoxymethoxy)ethylidene]-6-methoxy-1,2-dihydroindene
SMILESCCOCOCC=C1CCc2cc(OC)ccc21
InChIInChI=1S/C15H20O3/c1-3-17-11-18-9-8-12-4-5-13-10-14(16-2)6-7-15(12)13/h6-8,10H,3-5,9,11H2,1-2H3
InChIKeyGXEKDJPZDGANAG-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.04
Rot. Bonds6

About 3-[2-(ethoxymethoxy)ethylidene]-6-methoxy-1,2-dihydroindene

3-[2-(ethoxymethoxy)ethylidene]-6-methoxy-1,2-dihydroindene (PubChem CID 91068807) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 3-[2-(ethoxymethoxy)ethylidene]-6-methoxy-1,2-dihydroindene.

Molecular Properties

Compound Name3-[2-(ethoxymethoxy)ethylidene]-6-methoxy-1,2-dihydroindene
PubChem CID91068807
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name3-[2-(ethoxymethoxy)ethylidene]-6-methoxy-1,2-dihydroindene
SMILESCCOCOCC=C1CCc2cc(OC)ccc21
InChIInChI=1S/C15H20O3/c1-3-17-11-18-9-8-12-4-5-13-10-14(16-2)6-7-15(12)13/h6-8,10H,3-5,9,11H2,1-2H3
InChIKeyGXEKDJPZDGANAG-UHFFFAOYSA-N
XLogP3.04
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(5-methoxy-2,3-dihydroinden-1-ylidene)ethyl acetate
CID 174994017
(2E)-2-(5-methoxy-2,3-dihydroinden-1-ylidene)-N,N-dimethylethanamine
CID 176832118
(2E)-2-(5-methoxy-2,3-dihydroinden-1-ylidene)acetamide
CID 10888983
2-[2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]-2-propan-2-ylcyclopentane-1,3-dione
CID 165340548
5-(ethoxymethoxy)-2,3-dihydroinden-1-one
CID 104986117
(2E)-2-[(2-ethylphenyl)methylidene]-6-methoxy-3,4-dihydronaphthalen-1-one
CID 46945072
(2Z)-6-methoxy-2-[(4-prop-2-enoxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 6066357
5-[(Z)-(5-methoxy-2,3-dihydroinden-1-ylidene)methyl]-1,3-thiazole;hydrochloride
CID 11369487
(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]-6-methoxy-3,4-dihydronaphthalen-1-one
CID 9447281
1-[(2E)-2-(6-methoxy-2,3-dihydroinden-1-ylidene)ethyl]pyrrolidine
CID 176832104
6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 14112
6-(ethoxymethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 65369803

Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethoxymethoxy)ethylidene]-6-methoxy-1,2-dihydroindene?
The IUPAC name of 3-[2-(ethoxymethoxy)ethylidene]-6-methoxy-1,2-dihydroindene (CID 91068807) is 3-[2-(ethoxymethoxy)ethylidene]-6-methoxy-1,2-dihydroindene.
What is the SMILES notation for 3-[2-(ethoxymethoxy)ethylidene]-6-methoxy-1,2-dihydroindene?
The canonical SMILES for 3-[2-(ethoxymethoxy)ethylidene]-6-methoxy-1,2-dihydroindene is CCOCOCC=C1CCc2cc(OC)ccc21.
What is the InChIKey of 3-[2-(ethoxymethoxy)ethylidene]-6-methoxy-1,2-dihydroindene?
The InChIKey is GXEKDJPZDGANAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-3-17-11-18-9-8-12-4-5-13-10-14(16-2)6-7-15(12)13/h6-8,10H,3-5,9,11H2,1-2H3.
What are the key properties of 3-[2-(ethoxymethoxy)ethylidene]-6-methoxy-1,2-dihydroindene?
3-[2-(ethoxymethoxy)ethylidene]-6-methoxy-1,2-dihydroindene has a molecular weight of 248.32 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethoxymethoxy)ethylidene]-6-methoxy-1,2-dihydroindene is sourced from PubChem (CID 91068807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).