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

C12H16O3 — CID 107684629

IUPAC5-(2-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol
SMILESCC(O)COc1ccc2c(c1)CCC2O
InChIInChI=1S/C12H16O3/c1-8(13)7-15-10-3-4-11-9(6-10)2-5-12(11)14/h3-4,6,8,12-14H,2,5,7H2,1H3
InChIKeyZPEMFOHXUXQEQS-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.43
Rot. Bonds3

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

5-(2-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol (PubChem CID 107684629) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 5-(2-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name5-(2-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol
PubChem CID107684629
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name5-(2-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol
SMILESCC(O)COc1ccc2c(c1)CCC2O
InChIInChI=1S/C12H16O3/c1-8(13)7-15-10-3-4-11-9(6-10)2-5-12(11)14/h3-4,6,8,12-14H,2,5,7H2,1H3
InChIKeyZPEMFOHXUXQEQS-UHFFFAOYSA-N
XLogP1.43
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(2-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
(1R)-5-[2-(2-methylpropoxy)ethoxy]-2,3-dihydro-1H-inden-1-ol
CID 114091316
5-(2-hydroxy-2-phenylethoxy)-2,3-dihydro-1H-inden-1-ol
CID 107684824
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
5-octoxy-2,3-dihydro-1H-inden-1-ol
CID 107684624
(1R)-5-[(5-methyloxolan-2-yl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 114091323
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
6-(2-hydroxy-2,3-dimethylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 114494443

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 5-(2-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol (CID 107684629) is 5-(2-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 5-(2-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 5-(2-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol is CC(O)COc1ccc2c(c1)CCC2O.
What is the InChIKey of 5-(2-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol?
The InChIKey is ZPEMFOHXUXQEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-8(13)7-15-10-3-4-11-9(6-10)2-5-12(11)14/h3-4,6,8,12-14H,2,5,7H2,1H3.
What are the key properties of 5-(2-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol?
5-(2-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol has a molecular weight of 208.26 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 107684629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).