1-hydroxy-3-naphthalen-1-ylpropan-2-one

C13H12O2 — CID 57239921

IUPAC1-hydroxy-3-naphthalen-1-ylpropan-2-one
SMILESO=C(CO)Cc1cccc2ccccc12
InChIInChI=1S/C13H12O2/c14-9-12(15)8-11-6-3-5-10-4-1-2-7-13(10)11/h1-7,14H,8-9H2
InChIKeyVAUANOAOXWUJLU-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.94
Rot. Bonds3

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

1-hydroxy-3-naphthalen-1-ylpropan-2-one (PubChem CID 57239921) has the molecular formula C13H12O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-hydroxy-3-naphthalen-1-ylpropan-2-one.

Molecular Properties

Compound Name1-hydroxy-3-naphthalen-1-ylpropan-2-one
PubChem CID57239921
Molecular FormulaC13H12O2
Molecular Weight200.24 g/mol
Exact Mass200.08
IUPAC Name1-hydroxy-3-naphthalen-1-ylpropan-2-one
SMILESO=C(CO)Cc1cccc2ccccc12
InChIInChI=1S/C13H12O2/c14-9-12(15)8-11-6-3-5-10-4-1-2-7-13(10)11/h1-7,14H,8-9H2
InChIKeyVAUANOAOXWUJLU-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-naphthalen-1-ylbutan-2-one
CID 4564544
1-naphthalen-1-yl-3-phenylpropan-2-one
CID 5314621
1-naphthalen-1-ylpentane-2,4-dione
CID 54264117
tetrakis(2-naphthalen-1-ylacetic acid);samarium
CID 175232376
3-methyl-1-naphthalen-1-ylbutan-2-one
CID 12922161
4,4-dimethyl-1-naphthalen-1-ylpentan-2-one
CID 61055866
potassium;2-naphthalen-1-ylacetic acid;hydroxide
CID 174974988
3-naphthalen-1-yl-2-oxopropanoate
CID 18448912
acetic acid;2-naphthalen-1-ylacetic acid
CID 67744523
carbamic acid;naphthalen-1-ylmethanol
CID 71402043
5-methylsulfonyl-1-naphthalen-1-ylpentan-2-one
CID 105084239
methyl 9-naphthalen-1-yl-8-oxononanoate
CID 58248652

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-naphthalen-1-ylpropan-2-one?
The IUPAC name of 1-hydroxy-3-naphthalen-1-ylpropan-2-one (CID 57239921) is 1-hydroxy-3-naphthalen-1-ylpropan-2-one.
What is the SMILES notation for 1-hydroxy-3-naphthalen-1-ylpropan-2-one?
The canonical SMILES for 1-hydroxy-3-naphthalen-1-ylpropan-2-one is O=C(CO)Cc1cccc2ccccc12.
What is the InChIKey of 1-hydroxy-3-naphthalen-1-ylpropan-2-one?
The InChIKey is VAUANOAOXWUJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2/c14-9-12(15)8-11-6-3-5-10-4-1-2-7-13(10)11/h1-7,14H,8-9H2.
What are the key properties of 1-hydroxy-3-naphthalen-1-ylpropan-2-one?
1-hydroxy-3-naphthalen-1-ylpropan-2-one has a molecular weight of 200.24 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-naphthalen-1-ylpropan-2-one is sourced from PubChem (CID 57239921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).