2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol

C11H14O2 — CID 12522311

IUPAC2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESOCC1CCc2ccccc2C1O
InChIInChI=1S/C11H14O2/c12-7-9-6-5-8-3-1-2-4-10(8)11(9)13/h1-4,9,11-13H,5-7H2
InChIKeyUQMWWSHYEBAVIE-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.27
Rot. Bonds1

About 2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol

2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 12522311) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID12522311
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESOCC1CCc2ccccc2C1O
InChIInChI=1S/C11H14O2/c12-7-9-6-5-8-3-1-2-4-10(8)11(9)13/h1-4,9,11-13H,5-7H2
InChIKeyUQMWWSHYEBAVIE-UHFFFAOYSA-N
XLogP1.27
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-ethyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 145337942
[(1S,2S)-1-amino-1,2,3,4-tetrahydronaphthalen-2-yl]methanol
CID 96762744
(1R,2S)-2-[(dimethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 70291111
2-butyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 10856608
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-hexyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 63460691
N-(2-hydroxyethyl)-2-(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 79423477
2-[(1-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79424384
2-(3-phenylprop-2-ynyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 62339034
2-(oxan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79422393
2-(2-pyridin-2-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79423311

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of 2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol (CID 12522311) is 2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for 2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol is OCC1CCc2ccccc2C1O.
What is the InChIKey of 2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is UQMWWSHYEBAVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c12-7-9-6-5-8-3-1-2-4-10(8)11(9)13/h1-4,9,11-13H,5-7H2.
What are the key properties of 2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol?
2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 178.23 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 12522311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).