2-(8-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetaldehyde

C12H14O2 — CID 112546950

IUPAC2-(8-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetaldehyde
SMILESO=CCC1CCCc2cccc(O)c21
InChIInChI=1S/C12H14O2/c13-8-7-10-4-1-3-9-5-2-6-11(14)12(9)10/h2,5-6,8,10,14H,1,3-4,7H2
InChIKeyJTSJXLXLBONJRD-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.40
Rot. Bonds2

About 2-(8-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetaldehyde

2-(8-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetaldehyde (PubChem CID 112546950) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2-(8-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(8-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetaldehyde
PubChem CID112546950
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name2-(8-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetaldehyde
SMILESO=CCC1CCCc2cccc(O)c21
InChIInChI=1S/C12H14O2/c13-8-7-10-4-1-3-9-5-2-6-11(14)12(9)10/h2,5-6,8,10,14H,1,3-4,7H2
InChIKeyJTSJXLXLBONJRD-UHFFFAOYSA-N
XLogP2.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 83827745
(8R)-8-amino-5,6,7,8-tetrahydronaphthalen-1-ol
CID 130673743
2-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]acetaldehyde
CID 93476901
8-(ethylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 105445416
3-amino-2,3-dihydro-1H-inden-4-ol
CID 13376843
2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetaldehyde
CID 112546957
8-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 18366451
8-(1-aminoethyl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 105445428
2-(5-hydroxy-2,3-dihydro-1H-inden-1-yl)acetaldehyde
CID 45098204
(1R)-1-prop-2-enyl-1,2,3,4-tetrahydronaphthalene
CID 138977422
2-(2-methylidenecyclohexyl)acetaldehyde
CID 11344057
(1S)-7-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 124547289

Frequently Asked Questions

What is the IUPAC name of 2-(8-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetaldehyde?
The IUPAC name of 2-(8-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetaldehyde (CID 112546950) is 2-(8-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetaldehyde.
What is the SMILES notation for 2-(8-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetaldehyde?
The canonical SMILES for 2-(8-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetaldehyde is O=CCC1CCCc2cccc(O)c21.
What is the InChIKey of 2-(8-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetaldehyde?
The InChIKey is JTSJXLXLBONJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c13-8-7-10-4-1-3-9-5-2-6-11(14)12(9)10/h2,5-6,8,10,14H,1,3-4,7H2.
What are the key properties of 2-(8-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetaldehyde?
2-(8-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetaldehyde has a molecular weight of 190.24 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetaldehyde is sourced from PubChem (CID 112546950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).