5-(2-hydroxy-2-phenylethoxy)-2,3-dihydro-1H-inden-1-ol

C17H18O3 — CID 107684824

IUPAC5-(2-hydroxy-2-phenylethoxy)-2,3-dihydro-1H-inden-1-ol
SMILESOC(COc1ccc2c(c1)CCC2O)c1ccccc1
InChIInChI=1S/C17H18O3/c18-16-9-6-13-10-14(7-8-15(13)16)20-11-17(19)12-4-2-1-3-5-12/h1-5,7-8,10,16-19H,6,9,11H2
InChIKeyGSARLOXMLCPVQT-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.78
Rot. Bonds4

About 5-(2-hydroxy-2-phenylethoxy)-2,3-dihydro-1H-inden-1-ol

5-(2-hydroxy-2-phenylethoxy)-2,3-dihydro-1H-inden-1-ol (PubChem CID 107684824) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 5-(2-hydroxy-2-phenylethoxy)-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name5-(2-hydroxy-2-phenylethoxy)-2,3-dihydro-1H-inden-1-ol
PubChem CID107684824
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name5-(2-hydroxy-2-phenylethoxy)-2,3-dihydro-1H-inden-1-ol
SMILESOC(COc1ccc2c(c1)CCC2O)c1ccccc1
InChIInChI=1S/C17H18O3/c18-16-9-6-13-10-14(7-8-15(13)16)20-11-17(19)12-4-2-1-3-5-12/h1-5,7-8,10,16-19H,6,9,11H2
InChIKeyGSARLOXMLCPVQT-UHFFFAOYSA-N
XLogP2.78
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol
CID 107684629
5-(2-hydroxybutoxy)-2,3-dihydro-1H-inden-1-ol
CID 107684878
(1S)-5-(3,3,3-trifluoro-2-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol
CID 114091258
5-(3-phenylprop-2-ynoxy)-2,3-dihydro-1H-inden-1-ol
CID 107684843
5-(3-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol
CID 107684542
(1R)-5-[2-(2-methylpropoxy)ethoxy]-2,3-dihydro-1H-inden-1-ol
CID 114091316
5-(2-cyclopropylethoxy)-2,3-dihydro-1H-inden-1-ol
CID 107684696
5-[(4-hydroxyphenyl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 107684857
4-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxy]butanenitrile
CID 107684826
5-octoxy-2,3-dihydro-1H-inden-1-ol
CID 107684624
5-but-2-ynoxy-2,3-dihydro-1H-inden-1-ol
CID 107684782
(1R)-5-[(5-methyloxolan-2-yl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 114091323

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxy-2-phenylethoxy)-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 5-(2-hydroxy-2-phenylethoxy)-2,3-dihydro-1H-inden-1-ol (CID 107684824) is 5-(2-hydroxy-2-phenylethoxy)-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 5-(2-hydroxy-2-phenylethoxy)-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 5-(2-hydroxy-2-phenylethoxy)-2,3-dihydro-1H-inden-1-ol is OC(COc1ccc2c(c1)CCC2O)c1ccccc1.
What is the InChIKey of 5-(2-hydroxy-2-phenylethoxy)-2,3-dihydro-1H-inden-1-ol?
The InChIKey is GSARLOXMLCPVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c18-16-9-6-13-10-14(7-8-15(13)16)20-11-17(19)12-4-2-1-3-5-12/h1-5,7-8,10,16-19H,6,9,11H2.
What are the key properties of 5-(2-hydroxy-2-phenylethoxy)-2,3-dihydro-1H-inden-1-ol?
5-(2-hydroxy-2-phenylethoxy)-2,3-dihydro-1H-inden-1-ol has a molecular weight of 270.33 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxy-2-phenylethoxy)-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 107684824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).