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

C12H16O3 — CID 107684542

IUPAC5-(3-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol
SMILESOCCCOc1ccc2c(c1)CCC2O
InChIInChI=1S/C12H16O3/c13-6-1-7-15-10-3-4-11-9(8-10)2-5-12(11)14/h3-4,8,12-14H,1-2,5-7H2
InChIKeyMUINSOHIMDIMNT-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.43
Rot. Bonds4

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

5-(3-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol (PubChem CID 107684542) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 5-(3-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name5-(3-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol
PubChem CID107684542
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name5-(3-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol
SMILESOCCCOc1ccc2c(c1)CCC2O
InChIInChI=1S/C12H16O3/c13-6-1-7-15-10-3-4-11-9(8-10)2-5-12(11)14/h3-4,8,12-14H,1-2,5-7H2
InChIKeyMUINSOHIMDIMNT-UHFFFAOYSA-N
XLogP1.43
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

Computed Properties (RDKit)

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

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Related Compounds

5-octoxy-2,3-dihydro-1H-inden-1-ol
CID 107684624
5-(2-cyclopropylethoxy)-2,3-dihydro-1H-inden-1-ol
CID 107684696
4-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxy]butanenitrile
CID 107684826
5-[3-(2,2,2-trifluoroethoxy)propoxy]-2,3-dihydro-1H-inden-1-ol
CID 107684669
methyl 4-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxy]butanoate
CID 107684768
6-(5-fluoropentoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 114280270
(1R)-5-[2-(2-methylpropoxy)ethoxy]-2,3-dihydro-1H-inden-1-ol
CID 114091316
5-[(4-hydroxyphenyl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 107684857
5-(2-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol
CID 107684629
5-but-2-ynoxy-2,3-dihydro-1H-inden-1-ol
CID 107684782
5-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pentan-1-ol
CID 107683313
5-(2-hydroxybutoxy)-2,3-dihydro-1H-inden-1-ol
CID 107684878

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 5-(3-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol (CID 107684542) is 5-(3-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 5-(3-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 5-(3-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol is OCCCOc1ccc2c(c1)CCC2O.
What is the InChIKey of 5-(3-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol?
The InChIKey is MUINSOHIMDIMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c13-6-1-7-15-10-3-4-11-9(8-10)2-5-12(11)14/h3-4,8,12-14H,1-2,5-7H2.
What are the key properties of 5-(3-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol?
5-(3-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol has a molecular weight of 208.26 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 107684542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).