5-hydroxy-3,4,7,8-tetrahydro-2H-naphthalen-1-one

C10H12O2 — CID 70246304

IUPAC5-hydroxy-3,4,7,8-tetrahydro-2H-naphthalen-1-one
SMILESO=C1CCCC2=C1CCC=C2O
InChIInChI=1S/C10H12O2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h5,11H,1-4,6H2
InChIKeyCSYAHXKZHMUETC-UHFFFAOYSA-N
MW164.20 g/mol
LogP2.27
Rot. Bonds

About 5-hydroxy-3,4,7,8-tetrahydro-2H-naphthalen-1-one

5-hydroxy-3,4,7,8-tetrahydro-2H-naphthalen-1-one (PubChem CID 70246304) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 5-hydroxy-3,4,7,8-tetrahydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name5-hydroxy-3,4,7,8-tetrahydro-2H-naphthalen-1-one
PubChem CID70246304
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name5-hydroxy-3,4,7,8-tetrahydro-2H-naphthalen-1-one
SMILESO=C1CCCC2=C1CCC=C2O
InChIInChI=1S/C10H12O2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h5,11H,1-4,6H2
InChIKeyCSYAHXKZHMUETC-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3,4,7,8-tetrahydro-2H-naphthalen-1-one?
The IUPAC name of 5-hydroxy-3,4,7,8-tetrahydro-2H-naphthalen-1-one (CID 70246304) is 5-hydroxy-3,4,7,8-tetrahydro-2H-naphthalen-1-one.
What is the SMILES notation for 5-hydroxy-3,4,7,8-tetrahydro-2H-naphthalen-1-one?
The canonical SMILES for 5-hydroxy-3,4,7,8-tetrahydro-2H-naphthalen-1-one is O=C1CCCC2=C1CCC=C2O.
What is the InChIKey of 5-hydroxy-3,4,7,8-tetrahydro-2H-naphthalen-1-one?
The InChIKey is CSYAHXKZHMUETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h5,11H,1-4,6H2.
What are the key properties of 5-hydroxy-3,4,7,8-tetrahydro-2H-naphthalen-1-one?
5-hydroxy-3,4,7,8-tetrahydro-2H-naphthalen-1-one has a molecular weight of 164.20 g/mol, XLogP of 2.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3,4,7,8-tetrahydro-2H-naphthalen-1-one is sourced from PubChem (CID 70246304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).