8-hydroxy-1,1-dimethyl-3,4-dihydronaphthalen-2-one

C12H14O2 — CID 115010908

IUPAC8-hydroxy-1,1-dimethyl-3,4-dihydronaphthalen-2-one
SMILESCC1(C)C(=O)CCc2cccc(O)c21
InChIInChI=1S/C12H14O2/c1-12(2)10(14)7-6-8-4-3-5-9(13)11(8)12/h3-5,13H,6-7H2,1-2H3
InChIKeyHHTMXQKYHUPUKT-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.19
Rot. Bonds

About 8-hydroxy-1,1-dimethyl-3,4-dihydronaphthalen-2-one

8-hydroxy-1,1-dimethyl-3,4-dihydronaphthalen-2-one (PubChem CID 115010908) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 8-hydroxy-1,1-dimethyl-3,4-dihydronaphthalen-2-one.

Molecular Properties

Compound Name8-hydroxy-1,1-dimethyl-3,4-dihydronaphthalen-2-one
PubChem CID115010908
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name8-hydroxy-1,1-dimethyl-3,4-dihydronaphthalen-2-one
SMILESCC1(C)C(=O)CCc2cccc(O)c21
InChIInChI=1S/C12H14O2/c1-12(2)10(14)7-6-8-4-3-5-9(13)11(8)12/h3-5,13H,6-7H2,1-2H3
InChIKeyHHTMXQKYHUPUKT-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-amino-1,1-dimethyl-3,4-dihydronaphthalen-2-one
CID 135280999
1-methyl-2,3-dihydroindene-1,7-diol
CID 175232410
8-methylspiro[3,4-dihydronaphthalene-1,1'-cyclopentane]-2-one
CID 115010885
8-methoxyspiro[3,4-dihydronaphthalene-1,1'-cyclopropane]-2-one
CID 115010910
7-bromo-1,1-dimethyl-3,4-dihydronaphthalen-2-one
CID 115010938
1-methyl-1-propan-2-yl-3,4-dihydronaphthalen-2-one
CID 170601933
5-chloro-1,1-dimethyl-3,4-dihydronaphthalen-2-one
CID 115011001
(3R)-spiro[1,2-dihydroindene-3,2'-pyrrolidine]-4-ol
CID 175046084
7-amino-6-methoxy-1,1-dimethyl-3,4-dihydronaphthalen-2-one
CID 134427476
3,3'-spirobi[1,2-dihydroindene]-4-ol
CID 162403250
7-hydroxy-3a,9b-dimethyl-1,2,4,5-tetrahydrocyclopenta[a]naphthalen-3-one
CID 12702349
8-chlorospiro[3,4-dihydronaphthalene-1,1'-cyclopentane]-2-one
CID 115010898

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-1,1-dimethyl-3,4-dihydronaphthalen-2-one?
The IUPAC name of 8-hydroxy-1,1-dimethyl-3,4-dihydronaphthalen-2-one (CID 115010908) is 8-hydroxy-1,1-dimethyl-3,4-dihydronaphthalen-2-one.
What is the SMILES notation for 8-hydroxy-1,1-dimethyl-3,4-dihydronaphthalen-2-one?
The canonical SMILES for 8-hydroxy-1,1-dimethyl-3,4-dihydronaphthalen-2-one is CC1(C)C(=O)CCc2cccc(O)c21.
What is the InChIKey of 8-hydroxy-1,1-dimethyl-3,4-dihydronaphthalen-2-one?
The InChIKey is HHTMXQKYHUPUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-12(2)10(14)7-6-8-4-3-5-9(13)11(8)12/h3-5,13H,6-7H2,1-2H3.
What are the key properties of 8-hydroxy-1,1-dimethyl-3,4-dihydronaphthalen-2-one?
8-hydroxy-1,1-dimethyl-3,4-dihydronaphthalen-2-one has a molecular weight of 190.24 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-1,1-dimethyl-3,4-dihydronaphthalen-2-one is sourced from PubChem (CID 115010908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).