4-hydroxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one

C10H12O2 — CID 141084647

IUPAC4-hydroxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one
SMILESO=C1CCC(O)C2CC=CC=C12
InChIInChI=1S/C10H12O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-3,8,10,12H,4-6H2
InChIKeyJTRJQVOJSANABY-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.21
Rot. Bonds

About 4-hydroxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one

4-hydroxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one (PubChem CID 141084647) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 4-hydroxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name4-hydroxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one
PubChem CID141084647
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name4-hydroxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one
SMILESO=C1CCC(O)C2CC=CC=C12
InChIInChI=1S/C10H12O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-3,8,10,12H,4-6H2
InChIKeyJTRJQVOJSANABY-UHFFFAOYSA-N
XLogP1.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 140969413
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2-hydroxy-3a,4-dihydroisoindole-1,3-dione
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2-fluoro-2,3,3a,4-tetrahydroinden-1-one
CID 151740601
2,3,7,7a-tetrahydroinden-1-one
CID 141013179
1,2,3,3a,4,5,6,6a,6b,7-decahydrofluoranthene
CID 86143848
3-methoxy-2,2-dimethyl-3a,4-dihydro-3H-inden-1-one
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3,4,4a,5-tetrahydro-2H-isoquinolin-1-one;hydrate
CID 156773047
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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one?
The IUPAC name of 4-hydroxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one (CID 141084647) is 4-hydroxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one.
What is the SMILES notation for 4-hydroxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one?
The canonical SMILES for 4-hydroxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one is O=C1CCC(O)C2CC=CC=C12.
What is the InChIKey of 4-hydroxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one?
The InChIKey is JTRJQVOJSANABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-3,8,10,12H,4-6H2.
What are the key properties of 4-hydroxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one?
4-hydroxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one has a molecular weight of 164.20 g/mol, XLogP of 1.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one is sourced from PubChem (CID 141084647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).