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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Related Compounds

7-chloro-4,5,8-trimethyl-3,4-dihydro-2H-naphthalen-1-one
CID 115417433
7-hydroxy-4-methyl-3-pentyl-2,3-dihydroinden-1-one
CID 10955432
1,7-dimethyl-3-oxo-1,2-dihydroindene-4-carboxylic acid
CID 131617703
(4R)-4,8-dihydroxy-3,5-dimethyl-3,4-dihydroisochromen-1-one
CID 101415408
7-hydroxy-2,4-dimethyl-3-phenyl-2,3-dihydroinden-1-one
CID 14834731
(1S)-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115417791
8-chloro-5-methoxy-4-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 104546581
7-chloro-3-methyl-2,3-dihydro-1H-inden-4-ol
CID 163979066
1-iodo-7-methyl-2,3-dihydro-1H-inden-4-ol
CID 174891227
(4S)-4,5-dihydroxy-8-[(1R)-5-hydroxy-4-oxo-2,3-dihydro-1H-naphthalen-1-yl]-3,4-dihydro-2H-naphthalen-1-one
CID 11198523
5-chloro-7,8-difluoro-4-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 107477698
7-bromo-5,8-difluoro-4-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 115417432

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).