8-hydroxy-4,5-dimethyl-3,4-dihydro-2H-naphthalen-1-one

C12H14O2 — CID 121000728

IUPAC8-hydroxy-4,5-dimethyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCc1ccc(O)c2c1C(C)CCC2=O
InChIInChI=1S/C12H14O2/c1-7-3-5-9(13)12-10(14)6-4-8(2)11(7)12/h3,5,8,13H,4,6H2,1-2H3
InChIKeyJDQZFFWULZYOIR-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.78
Rot. Bonds

About 8-hydroxy-4,5-dimethyl-3,4-dihydro-2H-naphthalen-1-one

8-hydroxy-4,5-dimethyl-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 121000728) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 8-hydroxy-4,5-dimethyl-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name8-hydroxy-4,5-dimethyl-3,4-dihydro-2H-naphthalen-1-one
PubChem CID121000728
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name8-hydroxy-4,5-dimethyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCc1ccc(O)c2c1C(C)CCC2=O
InChIInChI=1S/C12H14O2/c1-7-3-5-9(13)12-10(14)6-4-8(2)11(7)12/h3,5,8,13H,4,6H2,1-2H3
InChIKeyJDQZFFWULZYOIR-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-4,5-dimethyl-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 8-hydroxy-4,5-dimethyl-3,4-dihydro-2H-naphthalen-1-one (CID 121000728) is 8-hydroxy-4,5-dimethyl-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 8-hydroxy-4,5-dimethyl-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 8-hydroxy-4,5-dimethyl-3,4-dihydro-2H-naphthalen-1-one is Cc1ccc(O)c2c1C(C)CCC2=O.
What is the InChIKey of 8-hydroxy-4,5-dimethyl-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is JDQZFFWULZYOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-7-3-5-9(13)12-10(14)6-4-8(2)11(7)12/h3,5,8,13H,4,6H2,1-2H3.
What are the key properties of 8-hydroxy-4,5-dimethyl-3,4-dihydro-2H-naphthalen-1-one?
8-hydroxy-4,5-dimethyl-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 190.24 g/mol, XLogP of 2.78, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-4,5-dimethyl-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 121000728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).