3-hydroxy-2-methyl-3-naphthalen-2-yl-1-phenylpropan-1-one

C20H18O2 — CID 12012921

IUPAC3-hydroxy-2-methyl-3-naphthalen-2-yl-1-phenylpropan-1-one
SMILESCC(C(=O)c1ccccc1)C(O)c1ccc2ccccc2c1
InChIInChI=1S/C20H18O2/c1-14(19(21)16-8-3-2-4-9-16)20(22)18-12-11-15-7-5-6-10-17(15)13-18/h2-14,20,22H,1H3
InChIKeyPYIFHXYWRMISAK-UHFFFAOYSA-N
MW290.36 g/mol
LogP4.39
Rot. Bonds4

About 3-hydroxy-2-methyl-3-naphthalen-2-yl-1-phenylpropan-1-one

3-hydroxy-2-methyl-3-naphthalen-2-yl-1-phenylpropan-1-one (PubChem CID 12012921) has the molecular formula C20H18O2 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-3-naphthalen-2-yl-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-hydroxy-2-methyl-3-naphthalen-2-yl-1-phenylpropan-1-one
PubChem CID12012921
Molecular FormulaC20H18O2
Molecular Weight290.36 g/mol
Exact Mass290.13
IUPAC Name3-hydroxy-2-methyl-3-naphthalen-2-yl-1-phenylpropan-1-one
SMILESCC(C(=O)c1ccccc1)C(O)c1ccc2ccccc2c1
InChIInChI=1S/C20H18O2/c1-14(19(21)16-8-3-2-4-9-16)20(22)18-12-11-15-7-5-6-10-17(15)13-18/h2-14,20,22H,1H3
InChIKeyPYIFHXYWRMISAK-UHFFFAOYSA-N
XLogP4.39
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R)-3-(4-fluorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one
CID 11414229
(2S,3R)-3-hydroxy-2-methyl-3-(4-methylphenyl)-1-phenylpropan-1-one
CID 12759347
[(1S)-1-naphthalen-2-ylethyl] benzoate
CID 10683869
(1S,2S)-1-naphthalen-2-yl-2-phenyl-2-sulfanylethanol
CID 10802720
(1R,2S)-1-naphthalen-2-yl-2-nitropropan-1-ol
CID 101234159
[(1R)-1-naphthalen-2-ylethyl]azanium benzoate
CID 139198203
(3R)-2,2-difluoro-3-hydroxy-3-naphthalen-2-yl-1-phenylpropan-1-one
CID 134948100
1-hydroxy-3-methyl-1-naphthalen-2-ylbutan-2-one
CID 23568525
2-naphthalen-2-ylsulfanyl-1-phenylpropan-1-one
CID 43411864
(2S)-2-hydroxy-1-naphthalen-2-ylpropan-1-one
CID 10130388
2-hydroxy-1-phenyl-2-(4-propan-2-ylphenyl)ethanone
CID 23513084
3-hydroxy-2,4,4-trimethyl-1-phenylpentan-1-one
CID 13023589

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyl-3-naphthalen-2-yl-1-phenylpropan-1-one?
The IUPAC name of 3-hydroxy-2-methyl-3-naphthalen-2-yl-1-phenylpropan-1-one (CID 12012921) is 3-hydroxy-2-methyl-3-naphthalen-2-yl-1-phenylpropan-1-one.
What is the SMILES notation for 3-hydroxy-2-methyl-3-naphthalen-2-yl-1-phenylpropan-1-one?
The canonical SMILES for 3-hydroxy-2-methyl-3-naphthalen-2-yl-1-phenylpropan-1-one is CC(C(=O)c1ccccc1)C(O)c1ccc2ccccc2c1.
What is the InChIKey of 3-hydroxy-2-methyl-3-naphthalen-2-yl-1-phenylpropan-1-one?
The InChIKey is PYIFHXYWRMISAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O2/c1-14(19(21)16-8-3-2-4-9-16)20(22)18-12-11-15-7-5-6-10-17(15)13-18/h2-14,20,22H,1H3.
What are the key properties of 3-hydroxy-2-methyl-3-naphthalen-2-yl-1-phenylpropan-1-one?
3-hydroxy-2-methyl-3-naphthalen-2-yl-1-phenylpropan-1-one has a molecular weight of 290.36 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-3-naphthalen-2-yl-1-phenylpropan-1-one is sourced from PubChem (CID 12012921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).