3-hydroxy-2H-naphthalen-1-one

C10H8O2 — CID 135798697

IUPAC3-hydroxy-2H-naphthalen-1-one
SMILESO=C1CC(O)=Cc2ccccc21
InChIInChI=1S/C10H8O2/c11-8-5-7-3-1-2-4-9(7)10(12)6-8/h1-5,11H,6H2
InChIKeyCKPLJDUYXOEZLP-UHFFFAOYSA-N
MW160.17 g/mol
LogP2.17
Rot. Bonds

About 3-hydroxy-2H-naphthalen-1-one

3-hydroxy-2H-naphthalen-1-one (PubChem CID 135798697) has the molecular formula C10H8O2 and a molecular weight of 160.17 g/mol. Its IUPAC name is 3-hydroxy-2H-naphthalen-1-one.

Molecular Properties

Compound Name3-hydroxy-2H-naphthalen-1-one
PubChem CID135798697
Molecular FormulaC10H8O2
Molecular Weight160.17 g/mol
Exact Mass160.05
IUPAC Name3-hydroxy-2H-naphthalen-1-one
SMILESO=C1CC(O)=Cc2ccccc21
InChIInChI=1S/C10H8O2/c11-8-5-7-3-1-2-4-9(7)10(12)6-8/h1-5,11H,6H2
InChIKeyCKPLJDUYXOEZLP-UHFFFAOYSA-N
XLogP2.17
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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CID 10221
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CID 231114
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CID 10708341
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CID 5325817
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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2H-naphthalen-1-one?
The IUPAC name of 3-hydroxy-2H-naphthalen-1-one (CID 135798697) is 3-hydroxy-2H-naphthalen-1-one.
What is the SMILES notation for 3-hydroxy-2H-naphthalen-1-one?
The canonical SMILES for 3-hydroxy-2H-naphthalen-1-one is O=C1CC(O)=Cc2ccccc21.
What is the InChIKey of 3-hydroxy-2H-naphthalen-1-one?
The InChIKey is CKPLJDUYXOEZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2/c11-8-5-7-3-1-2-4-9(7)10(12)6-8/h1-5,11H,6H2.
What are the key properties of 3-hydroxy-2H-naphthalen-1-one?
3-hydroxy-2H-naphthalen-1-one has a molecular weight of 160.17 g/mol, XLogP of 2.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2H-naphthalen-1-one is sourced from PubChem (CID 135798697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).