2-hydroxy-5,8a-dimethyl-2,3-dihydronaphthalen-1-one

C12H14O2 — CID 68969260

IUPAC2-hydroxy-5,8a-dimethyl-2,3-dihydronaphthalen-1-one
SMILESCC1=CC=CC2(C)C(=O)C(O)CC=C12
InChIInChI=1S/C12H14O2/c1-8-4-3-7-12(2)9(8)5-6-10(13)11(12)14/h3-5,7,10,13H,6H2,1-2H3
InChIKeyFPYBZCWBGPLVKP-UHFFFAOYSA-N
MW190.24 g/mol
LogP1.77
Rot. Bonds

About 2-hydroxy-5,8a-dimethyl-2,3-dihydronaphthalen-1-one

2-hydroxy-5,8a-dimethyl-2,3-dihydronaphthalen-1-one (PubChem CID 68969260) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2-hydroxy-5,8a-dimethyl-2,3-dihydronaphthalen-1-one.

Molecular Properties

Compound Name2-hydroxy-5,8a-dimethyl-2,3-dihydronaphthalen-1-one
PubChem CID68969260
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name2-hydroxy-5,8a-dimethyl-2,3-dihydronaphthalen-1-one
SMILESCC1=CC=CC2(C)C(=O)C(O)CC=C12
InChIInChI=1S/C12H14O2/c1-8-4-3-7-12(2)9(8)5-6-10(13)11(12)14/h3-5,7,10,13H,6H2,1-2H3
InChIKeyFPYBZCWBGPLVKP-UHFFFAOYSA-N
XLogP1.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5,8a-dimethyl-2,3-dihydronaphthalen-1-one?
The IUPAC name of 2-hydroxy-5,8a-dimethyl-2,3-dihydronaphthalen-1-one (CID 68969260) is 2-hydroxy-5,8a-dimethyl-2,3-dihydronaphthalen-1-one.
What is the SMILES notation for 2-hydroxy-5,8a-dimethyl-2,3-dihydronaphthalen-1-one?
The canonical SMILES for 2-hydroxy-5,8a-dimethyl-2,3-dihydronaphthalen-1-one is CC1=CC=CC2(C)C(=O)C(O)CC=C12.
What is the InChIKey of 2-hydroxy-5,8a-dimethyl-2,3-dihydronaphthalen-1-one?
The InChIKey is FPYBZCWBGPLVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-8-4-3-7-12(2)9(8)5-6-10(13)11(12)14/h3-5,7,10,13H,6H2,1-2H3.
What are the key properties of 2-hydroxy-5,8a-dimethyl-2,3-dihydronaphthalen-1-one?
2-hydroxy-5,8a-dimethyl-2,3-dihydronaphthalen-1-one has a molecular weight of 190.24 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5,8a-dimethyl-2,3-dihydronaphthalen-1-one is sourced from PubChem (CID 68969260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).