5-but-2-ynoxy-2,3-dihydro-1H-inden-1-ol

C13H14O2 — CID 107684782

IUPAC5-but-2-ynoxy-2,3-dihydro-1H-inden-1-ol
SMILESCC#CCOc1ccc2c(c1)CCC2O
InChIInChI=1S/C13H14O2/c1-2-3-8-15-11-5-6-12-10(9-11)4-7-13(12)14/h5-6,9,13-14H,4,7-8H2,1H3
InChIKeyAZELZKYBBHHMNA-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.07
Rot. Bonds2

About 5-but-2-ynoxy-2,3-dihydro-1H-inden-1-ol

5-but-2-ynoxy-2,3-dihydro-1H-inden-1-ol (PubChem CID 107684782) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 5-but-2-ynoxy-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name5-but-2-ynoxy-2,3-dihydro-1H-inden-1-ol
PubChem CID107684782
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name5-but-2-ynoxy-2,3-dihydro-1H-inden-1-ol
SMILESCC#CCOc1ccc2c(c1)CCC2O
InChIInChI=1S/C13H14O2/c1-2-3-8-15-11-5-6-12-10(9-11)4-7-13(12)14/h5-6,9,13-14H,4,7-8H2,1H3
InChIKeyAZELZKYBBHHMNA-UHFFFAOYSA-N
XLogP2.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(3-phenylprop-2-ynoxy)-2,3-dihydro-1H-inden-1-ol
CID 107684843
5-but-2-ynoxy-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 107683611
5-(2-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol
CID 107684629
5-(3-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol
CID 107684542
5-octoxy-2,3-dihydro-1H-inden-1-ol
CID 107684624
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
5-(2-hydroxybutoxy)-2,3-dihydro-1H-inden-1-ol
CID 107684878
6-but-2-ynoxy-2,3-dihydro-1-benzofuran-3-ol
CID 63096948
4-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxy]butanenitrile
CID 107684826
(1R)-5-[(5-methyloxolan-2-yl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 114091323
(1R)-5-[2-(2-methylpropoxy)ethoxy]-2,3-dihydro-1H-inden-1-ol
CID 114091316

Frequently Asked Questions

What is the IUPAC name of 5-but-2-ynoxy-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 5-but-2-ynoxy-2,3-dihydro-1H-inden-1-ol (CID 107684782) is 5-but-2-ynoxy-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 5-but-2-ynoxy-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 5-but-2-ynoxy-2,3-dihydro-1H-inden-1-ol is CC#CCOc1ccc2c(c1)CCC2O.
What is the InChIKey of 5-but-2-ynoxy-2,3-dihydro-1H-inden-1-ol?
The InChIKey is AZELZKYBBHHMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c1-2-3-8-15-11-5-6-12-10(9-11)4-7-13(12)14/h5-6,9,13-14H,4,7-8H2,1H3.
What are the key properties of 5-but-2-ynoxy-2,3-dihydro-1H-inden-1-ol?
5-but-2-ynoxy-2,3-dihydro-1H-inden-1-ol has a molecular weight of 202.25 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-2-ynoxy-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 107684782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).