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

C10H12O2 — CID 141048464

IUPAC2-hydroxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one
SMILESO=C1C2=CC=CCC2CCC1O
InChIInChI=1S/C10H12O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-2,4,7,9,11H,3,5-6H2
InChIKeyRBBBYXCSIFTHDB-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.21
Rot. Bonds

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

2-hydroxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one (PubChem CID 141048464) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 2-hydroxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name2-hydroxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one
PubChem CID141048464
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name2-hydroxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one
SMILESO=C1C2=CC=CCC2CCC1O
InChIInChI=1S/C10H12O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-2,4,7,9,11H,3,5-6H2
InChIKeyRBBBYXCSIFTHDB-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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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one?
The IUPAC name of 2-hydroxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one (CID 141048464) is 2-hydroxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one.
What is the SMILES notation for 2-hydroxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one?
The canonical SMILES for 2-hydroxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one is O=C1C2=CC=CCC2CCC1O.
What is the InChIKey of 2-hydroxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one?
The InChIKey is RBBBYXCSIFTHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-2,4,7,9,11H,3,5-6H2.
What are the key properties of 2-hydroxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one?
2-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 2-hydroxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one is sourced from PubChem (CID 141048464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).