2-(3-phenylprop-2-ynyl)-1,2,3,4-tetrahydronaphthalen-1-ol

C19H18O — CID 62339034

IUPAC2-(3-phenylprop-2-ynyl)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESOC1c2ccccc2CCC1CC#Cc1ccccc1
InChIInChI=1S/C19H18O/c20-19-17(11-6-9-15-7-2-1-3-8-15)14-13-16-10-4-5-12-18(16)19/h1-5,7-8,10,12,17,19-20H,11,13-14H2
InChIKeyIRGUQLFQZYFBPH-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.72
Rot. Bonds1

About 2-(3-phenylprop-2-ynyl)-1,2,3,4-tetrahydronaphthalen-1-ol

2-(3-phenylprop-2-ynyl)-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 62339034) has the molecular formula C19H18O and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(3-phenylprop-2-ynyl)-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name2-(3-phenylprop-2-ynyl)-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID62339034
Molecular FormulaC19H18O
Molecular Weight262.35 g/mol
Exact Mass262.14
IUPAC Name2-(3-phenylprop-2-ynyl)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESOC1c2ccccc2CCC1CC#Cc1ccccc1
InChIInChI=1S/C19H18O/c20-19-17(11-6-9-15-7-2-1-3-8-15)14-13-16-10-4-5-12-18(16)19/h1-5,7-8,10,12,17,19-20H,11,13-14H2
InChIKeyIRGUQLFQZYFBPH-UHFFFAOYSA-N
XLogP3.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.72
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

ethane;2-ethyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 145337942
2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 12522311
2-butyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 10856608
(1R,2S)-2-[(dimethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 70291111
2-hexyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 63460691
6-(2-hydroxyethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 79422801
(1S,2S)-2-[(E)-but-2-enyl]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 101152494
2-(2-pyridin-2-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79423311
2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 104565816
3-[(1S,2R)-2-methylcyclopentyl]prop-1-ynylbenzene
CID 101086252
2-(2-propylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 106729008
2-[(1-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79424384

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylprop-2-ynyl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of 2-(3-phenylprop-2-ynyl)-1,2,3,4-tetrahydronaphthalen-1-ol (CID 62339034) is 2-(3-phenylprop-2-ynyl)-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 2-(3-phenylprop-2-ynyl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for 2-(3-phenylprop-2-ynyl)-1,2,3,4-tetrahydronaphthalen-1-ol is OC1c2ccccc2CCC1CC#Cc1ccccc1.
What is the InChIKey of 2-(3-phenylprop-2-ynyl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is IRGUQLFQZYFBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O/c20-19-17(11-6-9-15-7-2-1-3-8-15)14-13-16-10-4-5-12-18(16)19/h1-5,7-8,10,12,17,19-20H,11,13-14H2.
What are the key properties of 2-(3-phenylprop-2-ynyl)-1,2,3,4-tetrahydronaphthalen-1-ol?
2-(3-phenylprop-2-ynyl)-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 262.35 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylprop-2-ynyl)-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 62339034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).