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

C17H14O — CID 171432789

IUPAC5-(2-phenylethynyl)-2,3-dihydro-1H-inden-1-ol
SMILESOC1CCc2cc(C#Cc3ccccc3)ccc21
InChIInChI=1S/C17H14O/c18-17-11-9-15-12-14(8-10-16(15)17)7-6-13-4-2-1-3-5-13/h1-5,8,10,12,17-18H,9,11H2
InChIKeyJNLAPRKDMGGJIH-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.07
Rot. Bonds

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

5-(2-phenylethynyl)-2,3-dihydro-1H-inden-1-ol (PubChem CID 171432789) has the molecular formula C17H14O and a molecular weight of 234.30 g/mol. Its IUPAC name is 5-(2-phenylethynyl)-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name5-(2-phenylethynyl)-2,3-dihydro-1H-inden-1-ol
PubChem CID171432789
Molecular FormulaC17H14O
Molecular Weight234.30 g/mol
Exact Mass234.10
IUPAC Name5-(2-phenylethynyl)-2,3-dihydro-1H-inden-1-ol
SMILESOC1CCc2cc(C#Cc3ccccc3)ccc21
InChIInChI=1S/C17H14O/c18-17-11-9-15-12-14(8-10-16(15)17)7-6-13-4-2-1-3-5-13/h1-5,8,10,12,17-18H,9,11H2
InChIKeyJNLAPRKDMGGJIH-UHFFFAOYSA-N
XLogP3.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-phenyl-2,3-dihydro-1H-inden-1-ol
CID 23082740
tris(2,3-dihydro-1H-inden-1-ol);ethane
CID 19770523
(1R)-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 59021705
(8R,9S,13S,14S)-13-methyl-3-(2-phenylethynyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 135030788
(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
6-phenyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 126542656
1-[2-[6-(2-phenylethynyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]piperidin-4-ol
CID 141372977
5-(aminomethyl)-2,3-dihydro-1H-inden-1-ol
CID 53439054
5-(dimethylamino)-2,3-dihydro-1H-inden-1-ol
CID 83816705
(3R)-3-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile
CID 131140735

Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylethynyl)-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 5-(2-phenylethynyl)-2,3-dihydro-1H-inden-1-ol (CID 171432789) is 5-(2-phenylethynyl)-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 5-(2-phenylethynyl)-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 5-(2-phenylethynyl)-2,3-dihydro-1H-inden-1-ol is OC1CCc2cc(C#Cc3ccccc3)ccc21.
What is the InChIKey of 5-(2-phenylethynyl)-2,3-dihydro-1H-inden-1-ol?
The InChIKey is JNLAPRKDMGGJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O/c18-17-11-9-15-12-14(8-10-16(15)17)7-6-13-4-2-1-3-5-13/h1-5,8,10,12,17-18H,9,11H2.
What are the key properties of 5-(2-phenylethynyl)-2,3-dihydro-1H-inden-1-ol?
5-(2-phenylethynyl)-2,3-dihydro-1H-inden-1-ol has a molecular weight of 234.30 g/mol, XLogP of 3.07, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylethynyl)-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 171432789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).