4-[2-(2-hydroxyethoxy)ethoxy]-2,3-dihydro-1H-inden-1-ol

C13H18O4 — CID 55179905

IUPAC4-[2-(2-hydroxyethoxy)ethoxy]-2,3-dihydro-1H-inden-1-ol
SMILESOCCOCCOc1cccc2c1CCC2O
InChIInChI=1S/C13H18O4/c14-6-7-16-8-9-17-13-3-1-2-10-11(13)4-5-12(10)15/h1-3,12,14-15H,4-9H2
InChIKeyAVEBQORRLBUJAK-UHFFFAOYSA-N
MW238.28 g/mol
LogP1.05
Rot. Bonds6

About 4-[2-(2-hydroxyethoxy)ethoxy]-2,3-dihydro-1H-inden-1-ol

4-[2-(2-hydroxyethoxy)ethoxy]-2,3-dihydro-1H-inden-1-ol (PubChem CID 55179905) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 4-[2-(2-hydroxyethoxy)ethoxy]-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name4-[2-(2-hydroxyethoxy)ethoxy]-2,3-dihydro-1H-inden-1-ol
PubChem CID55179905
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name4-[2-(2-hydroxyethoxy)ethoxy]-2,3-dihydro-1H-inden-1-ol
SMILESOCCOCCOc1cccc2c1CCC2O
InChIInChI=1S/C13H18O4/c14-6-7-16-8-9-17-13-3-1-2-10-11(13)4-5-12(10)15/h1-3,12,14-15H,4-9H2
InChIKeyAVEBQORRLBUJAK-UHFFFAOYSA-N
XLogP1.05
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-but-3-ynoxy-2,3-dihydro-1H-inden-1-ol
CID 63091221
4-(3-phenylpropoxy)-2,3-dihydro-1H-inden-1-ol
CID 63091389
(1R)-4-(cyclopropylmethoxy)-2,3-dihydro-1H-inden-1-ol
CID 95012649
2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]acetonitrile
CID 63090888
4-(2-pyridin-2-ylethoxy)-2,3-dihydro-1H-inden-1-ol
CID 63090709
4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-2,3-dihydro-1H-inden-1-ol
CID 66419924
4-[[(1S,2R,4S)-4-chloro-2-hydroxycyclopentyl]methoxy]-2,3-dihydro-1H-inden-1-ol
CID 89299936
4-(2-propoxyethoxy)-2,3-dihydro-1H-inden-1-amine
CID 106450266
3-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-N-propan-2-ylpropanamide
CID 63090874
5-(2-phenylsulfanylethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79228032
4-[2-(1-methylpiperidin-2-yl)ethoxy]-2,3-dihydro-1H-inden-1-ol
CID 107912816
1-[2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]ethyl]imidazolidin-2-one
CID 63091226

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-hydroxyethoxy)ethoxy]-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 4-[2-(2-hydroxyethoxy)ethoxy]-2,3-dihydro-1H-inden-1-ol (CID 55179905) is 4-[2-(2-hydroxyethoxy)ethoxy]-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 4-[2-(2-hydroxyethoxy)ethoxy]-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 4-[2-(2-hydroxyethoxy)ethoxy]-2,3-dihydro-1H-inden-1-ol is OCCOCCOc1cccc2c1CCC2O.
What is the InChIKey of 4-[2-(2-hydroxyethoxy)ethoxy]-2,3-dihydro-1H-inden-1-ol?
The InChIKey is AVEBQORRLBUJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c14-6-7-16-8-9-17-13-3-1-2-10-11(13)4-5-12(10)15/h1-3,12,14-15H,4-9H2.
What are the key properties of 4-[2-(2-hydroxyethoxy)ethoxy]-2,3-dihydro-1H-inden-1-ol?
4-[2-(2-hydroxyethoxy)ethoxy]-2,3-dihydro-1H-inden-1-ol has a molecular weight of 238.28 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-hydroxyethoxy)ethoxy]-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 55179905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).