1-(4-hydroxy-3,6,8-trimethylnaphthalen-2-yl)propan-2-one

C16H18O2 — CID 156581596

IUPAC1-(4-hydroxy-3,6,8-trimethylnaphthalen-2-yl)propan-2-one
SMILESCC(=O)Cc1cc2c(C)cc(C)cc2c(O)c1C
InChIInChI=1S/C16H18O2/c1-9-5-10(2)14-8-13(7-11(3)17)12(4)16(18)15(14)6-9/h5-6,8,18H,7H2,1-4H3
InChIKeyIYGIHGYVRFHMCP-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.60
Rot. Bonds2

About 1-(4-hydroxy-3,6,8-trimethylnaphthalen-2-yl)propan-2-one

1-(4-hydroxy-3,6,8-trimethylnaphthalen-2-yl)propan-2-one (PubChem CID 156581596) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(4-hydroxy-3,6,8-trimethylnaphthalen-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(4-hydroxy-3,6,8-trimethylnaphthalen-2-yl)propan-2-one
PubChem CID156581596
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name1-(4-hydroxy-3,6,8-trimethylnaphthalen-2-yl)propan-2-one
SMILESCC(=O)Cc1cc2c(C)cc(C)cc2c(O)c1C
InChIInChI=1S/C16H18O2/c1-9-5-10(2)14-8-13(7-11(3)17)12(4)16(18)15(14)6-9/h5-6,8,18H,7H2,1-4H3
InChIKeyIYGIHGYVRFHMCP-UHFFFAOYSA-N
XLogP3.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Nepodin
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Phytonadiol
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Sugiol
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6-Hydroxy-1,1,4A-trimethyl-7-(propan-2-YL)-1,2,3,4,4A,9,10,10A-octahydrophenanthren-9-one
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garveatin A
CID 15940065
Mansonone G
CID 608583
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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-3,6,8-trimethylnaphthalen-2-yl)propan-2-one?
The IUPAC name of 1-(4-hydroxy-3,6,8-trimethylnaphthalen-2-yl)propan-2-one (CID 156581596) is 1-(4-hydroxy-3,6,8-trimethylnaphthalen-2-yl)propan-2-one.
What is the SMILES notation for 1-(4-hydroxy-3,6,8-trimethylnaphthalen-2-yl)propan-2-one?
The canonical SMILES for 1-(4-hydroxy-3,6,8-trimethylnaphthalen-2-yl)propan-2-one is CC(=O)Cc1cc2c(C)cc(C)cc2c(O)c1C.
What is the InChIKey of 1-(4-hydroxy-3,6,8-trimethylnaphthalen-2-yl)propan-2-one?
The InChIKey is IYGIHGYVRFHMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-9-5-10(2)14-8-13(7-11(3)17)12(4)16(18)15(14)6-9/h5-6,8,18H,7H2,1-4H3.
What are the key properties of 1-(4-hydroxy-3,6,8-trimethylnaphthalen-2-yl)propan-2-one?
1-(4-hydroxy-3,6,8-trimethylnaphthalen-2-yl)propan-2-one has a molecular weight of 242.32 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-3,6,8-trimethylnaphthalen-2-yl)propan-2-one is sourced from PubChem (CID 156581596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).