3,3-dimethoxy-1,2-dihydroindene

C11H14O2 — CID 18402537

IUPAC3,3-dimethoxy-1,2-dihydroindene
SMILESCOC1(OC)CCc2ccccc21
InChIInChI=1S/C11H14O2/c1-12-11(13-2)8-7-9-5-3-4-6-10(9)11/h3-6H,7-8H2,1-2H3
InChIKeyIOIHHKFGPPMVNV-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.08
Rot. Bonds2

About 3,3-dimethoxy-1,2-dihydroindene

3,3-dimethoxy-1,2-dihydroindene (PubChem CID 18402537) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 3,3-dimethoxy-1,2-dihydroindene.

Molecular Properties

Compound Name3,3-dimethoxy-1,2-dihydroindene
PubChem CID18402537
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name3,3-dimethoxy-1,2-dihydroindene
SMILESCOC1(OC)CCc2ccccc21
InChIInChI=1S/C11H14O2/c1-12-11(13-2)8-7-9-5-3-4-6-10(9)11/h3-6H,7-8H2,1-2H3
InChIKeyIOIHHKFGPPMVNV-UHFFFAOYSA-N
XLogP2.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,4a,5,9b-Tetrahydroindeno(1,2-d)-1,3-dioxin
CID 87453
Indeno[1,2-d]-1,3-dioxin, 4,4a,5,9b-tetrahydro-2,4-dimethyl-
CID 119674
Trimethyl orthobeznoate
CID 69720
Methoxyindane
CID 70506
1,3-Dimethoxyphthalan
CID 11629690
Indene oxide
CID 92838
Benzene, (1,1-dimethoxyethyl)-
CID 78008
6,7-Dioxaspiro[4.5]dec-9-ene, 8-methoxy-8-phenyl-
CID 10658084
(1R,2S)-2-Fluoro-1-methoxy-1-phenyl-indan
CID 10977615
9-Fluorenyl acetate
CID 141166
9-Methoxy-9H-fluorene
CID 155999
1-Indanyl acetate
CID 233153

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethoxy-1,2-dihydroindene?
The IUPAC name of 3,3-dimethoxy-1,2-dihydroindene (CID 18402537) is 3,3-dimethoxy-1,2-dihydroindene.
What is the SMILES notation for 3,3-dimethoxy-1,2-dihydroindene?
The canonical SMILES for 3,3-dimethoxy-1,2-dihydroindene is COC1(OC)CCc2ccccc21.
What is the InChIKey of 3,3-dimethoxy-1,2-dihydroindene?
The InChIKey is IOIHHKFGPPMVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-12-11(13-2)8-7-9-5-3-4-6-10(9)11/h3-6H,7-8H2,1-2H3.
What are the key properties of 3,3-dimethoxy-1,2-dihydroindene?
3,3-dimethoxy-1,2-dihydroindene has a molecular weight of 178.23 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethoxy-1,2-dihydroindene is sourced from PubChem (CID 18402537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).