2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,3-dihydro-1H-inden-1-ol

C16H24O5 — CID 104564613

IUPAC2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,3-dihydro-1H-inden-1-ol
SMILESCOCCOCCOCCOC1Cc2ccccc2C1O
InChIInChI=1S/C16H24O5/c1-18-6-7-19-8-9-20-10-11-21-15-12-13-4-2-3-5-14(13)16(15)17/h2-5,15-17H,6-12H2,1H3
InChIKeyTYCOHJXSELEVLD-UHFFFAOYSA-N
MW296.36 g/mol
LogP1.34
Rot. Bonds10

About 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,3-dihydro-1H-inden-1-ol

2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,3-dihydro-1H-inden-1-ol (PubChem CID 104564613) has the molecular formula C16H24O5 and a molecular weight of 296.36 g/mol. Its IUPAC name is 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,3-dihydro-1H-inden-1-ol
PubChem CID104564613
Molecular FormulaC16H24O5
Molecular Weight296.36 g/mol
Exact Mass296.16
IUPAC Name2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,3-dihydro-1H-inden-1-ol
SMILESCOCCOCCOCCOC1Cc2ccccc2C1O
InChIInChI=1S/C16H24O5/c1-18-6-7-19-8-9-20-10-11-21-15-12-13-4-2-3-5-14(13)16(15)17/h2-5,15-17H,6-12H2,1H3
InChIKeyTYCOHJXSELEVLD-UHFFFAOYSA-N
XLogP1.34
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,3-dihydro-1H-inden-1-ol (CID 104564613) is 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,3-dihydro-1H-inden-1-ol is COCCOCCOCCOC1Cc2ccccc2C1O.
What is the InChIKey of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,3-dihydro-1H-inden-1-ol?
The InChIKey is TYCOHJXSELEVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O5/c1-18-6-7-19-8-9-20-10-11-21-15-12-13-4-2-3-5-14(13)16(15)17/h2-5,15-17H,6-12H2,1H3.
What are the key properties of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,3-dihydro-1H-inden-1-ol?
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,3-dihydro-1H-inden-1-ol has a molecular weight of 296.36 g/mol, XLogP of 1.34, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 104564613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).