3-hydroxy-1-naphthalen-1-ylpropan-1-one

C13H12O2 — CID 19872190

IUPAC3-hydroxy-1-naphthalen-1-ylpropan-1-one
SMILESO=C(CCO)c1cccc2ccccc12
InChIInChI=1S/C13H12O2/c14-9-8-13(15)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,14H,8-9H2
InChIKeyHABSMTNDHACADG-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.40
Rot. Bonds3

About 3-hydroxy-1-naphthalen-1-ylpropan-1-one

3-hydroxy-1-naphthalen-1-ylpropan-1-one (PubChem CID 19872190) has the molecular formula C13H12O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-hydroxy-1-naphthalen-1-ylpropan-1-one.

Molecular Properties

Compound Name3-hydroxy-1-naphthalen-1-ylpropan-1-one
PubChem CID19872190
Molecular FormulaC13H12O2
Molecular Weight200.24 g/mol
Exact Mass200.08
IUPAC Name3-hydroxy-1-naphthalen-1-ylpropan-1-one
SMILESO=C(CCO)c1cccc2ccccc12
InChIInChI=1S/C13H12O2/c14-9-8-13(15)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,14H,8-9H2
InChIKeyHABSMTNDHACADG-UHFFFAOYSA-N
XLogP2.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-naphthalen-1-yldodecan-1-one
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1-naphthalen-1-yl-3-phenoxypropan-1-one
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(2S)-2-amino-3-hydroxy-1-naphthalen-1-ylpropan-1-one
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3-naphthalen-1-yl-3-oxopropanoate
CID 22261669
1-naphthalen-1-ylbut-3-en-1-one
CID 11030731
3-(2-methoxyethoxy)-1-naphthalen-1-ylpropan-1-one
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CID 58905973

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-naphthalen-1-ylpropan-1-one?
The IUPAC name of 3-hydroxy-1-naphthalen-1-ylpropan-1-one (CID 19872190) is 3-hydroxy-1-naphthalen-1-ylpropan-1-one.
What is the SMILES notation for 3-hydroxy-1-naphthalen-1-ylpropan-1-one?
The canonical SMILES for 3-hydroxy-1-naphthalen-1-ylpropan-1-one is O=C(CCO)c1cccc2ccccc12.
What is the InChIKey of 3-hydroxy-1-naphthalen-1-ylpropan-1-one?
The InChIKey is HABSMTNDHACADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2/c14-9-8-13(15)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,14H,8-9H2.
What are the key properties of 3-hydroxy-1-naphthalen-1-ylpropan-1-one?
3-hydroxy-1-naphthalen-1-ylpropan-1-one has a molecular weight of 200.24 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-naphthalen-1-ylpropan-1-one is sourced from PubChem (CID 19872190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).