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

C18H16O2 — CID 107684843

IUPAC5-(3-phenylprop-2-ynoxy)-2,3-dihydro-1H-inden-1-ol
SMILESOC1CCc2cc(OCC#Cc3ccccc3)ccc21
InChIInChI=1S/C18H16O2/c19-18-11-8-15-13-16(9-10-17(15)18)20-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,9-10,13,18-19H,8,11-12H2
InChIKeyCFVLQOJJGOELJC-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.10
Rot. Bonds2

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

5-(3-phenylprop-2-ynoxy)-2,3-dihydro-1H-inden-1-ol (PubChem CID 107684843) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 5-(3-phenylprop-2-ynoxy)-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name5-(3-phenylprop-2-ynoxy)-2,3-dihydro-1H-inden-1-ol
PubChem CID107684843
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name5-(3-phenylprop-2-ynoxy)-2,3-dihydro-1H-inden-1-ol
SMILESOC1CCc2cc(OCC#Cc3ccccc3)ccc21
InChIInChI=1S/C18H16O2/c19-18-11-8-15-13-16(9-10-17(15)18)20-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,9-10,13,18-19H,8,11-12H2
InChIKeyCFVLQOJJGOELJC-UHFFFAOYSA-N
XLogP3.10
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.10
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-but-2-ynoxy-2,3-dihydro-1H-inden-1-ol
CID 107684782
5-(2-phenylethynyl)-2,3-dihydro-1H-inden-1-ol
CID 171432789
6-(3-phenylprop-2-ynoxy)-2,3-dihydro-1-benzofuran-3-ol
CID 63096784
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-(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-(2-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol
CID 107684629
(1R)-5-(2-hydroxycyclopentyl)oxy-2,3-dihydro-1H-inden-1-ol
CID 114091325
5-(2-hydroxycyclohexyl)oxy-2,3-dihydro-1H-inden-1-ol
CID 107684725
5-octoxy-2,3-dihydro-1H-inden-1-ol
CID 107684624

Frequently Asked Questions

What is the IUPAC name of 5-(3-phenylprop-2-ynoxy)-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 5-(3-phenylprop-2-ynoxy)-2,3-dihydro-1H-inden-1-ol (CID 107684843) is 5-(3-phenylprop-2-ynoxy)-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 5-(3-phenylprop-2-ynoxy)-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 5-(3-phenylprop-2-ynoxy)-2,3-dihydro-1H-inden-1-ol is OC1CCc2cc(OCC#Cc3ccccc3)ccc21.
What is the InChIKey of 5-(3-phenylprop-2-ynoxy)-2,3-dihydro-1H-inden-1-ol?
The InChIKey is CFVLQOJJGOELJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2/c19-18-11-8-15-13-16(9-10-17(15)18)20-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,9-10,13,18-19H,8,11-12H2.
What are the key properties of 5-(3-phenylprop-2-ynoxy)-2,3-dihydro-1H-inden-1-ol?
5-(3-phenylprop-2-ynoxy)-2,3-dihydro-1H-inden-1-ol has a molecular weight of 264.32 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenylprop-2-ynoxy)-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 107684843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).