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

C13H18O3 — CID 107684878

IUPAC5-(2-hydroxybutoxy)-2,3-dihydro-1H-inden-1-ol
SMILESCCC(O)COc1ccc2c(c1)CCC2O
InChIInChI=1S/C13H18O3/c1-2-10(14)8-16-11-4-5-12-9(7-11)3-6-13(12)15/h4-5,7,10,13-15H,2-3,6,8H2,1H3
InChIKeyABFFFRTYJUEMMJ-UHFFFAOYSA-N
MW222.28 g/mol
LogP1.82
Rot. Bonds4

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

5-(2-hydroxybutoxy)-2,3-dihydro-1H-inden-1-ol (PubChem CID 107684878) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 5-(2-hydroxybutoxy)-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name5-(2-hydroxybutoxy)-2,3-dihydro-1H-inden-1-ol
PubChem CID107684878
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name5-(2-hydroxybutoxy)-2,3-dihydro-1H-inden-1-ol
SMILESCCC(O)COc1ccc2c(c1)CCC2O
InChIInChI=1S/C13H18O3/c1-2-10(14)8-16-11-4-5-12-9(7-11)3-6-13(12)15/h4-5,7,10,13-15H,2-3,6,8H2,1H3
InChIKeyABFFFRTYJUEMMJ-UHFFFAOYSA-N
XLogP1.82
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 51.82
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
(1S)-5-(3,3,3-trifluoro-2-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol
CID 114091258
5-(2-hydroxy-2-phenylethoxy)-2,3-dihydro-1H-inden-1-ol
CID 107684824
5-octoxy-2,3-dihydro-1H-inden-1-ol
CID 107684624
(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-(3-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol
CID 107684542
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
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
1-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxy]-3-methoxypropan-2-ol
CID 107683826

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxybutoxy)-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 5-(2-hydroxybutoxy)-2,3-dihydro-1H-inden-1-ol (CID 107684878) is 5-(2-hydroxybutoxy)-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 5-(2-hydroxybutoxy)-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 5-(2-hydroxybutoxy)-2,3-dihydro-1H-inden-1-ol is CCC(O)COc1ccc2c(c1)CCC2O.
What is the InChIKey of 5-(2-hydroxybutoxy)-2,3-dihydro-1H-inden-1-ol?
The InChIKey is ABFFFRTYJUEMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-2-10(14)8-16-11-4-5-12-9(7-11)3-6-13(12)15/h4-5,7,10,13-15H,2-3,6,8H2,1H3.
What are the key properties of 5-(2-hydroxybutoxy)-2,3-dihydro-1H-inden-1-ol?
5-(2-hydroxybutoxy)-2,3-dihydro-1H-inden-1-ol has a molecular weight of 222.28 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxybutoxy)-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 107684878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).