7-hydroxy-1,1,3,3-tetramethyl-4H-naphthalen-2-one

C14H18O2 — CID 165352303

IUPAC7-hydroxy-1,1,3,3-tetramethyl-4H-naphthalen-2-one
SMILESCC1(C)Cc2ccc(O)cc2C(C)(C)C1=O
InChIInChI=1S/C14H18O2/c1-13(2)8-9-5-6-10(15)7-11(9)14(3,4)12(13)16/h5-7,15H,8H2,1-4H3
InChIKeyNBDHLUPTGGOTOV-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.82
Rot. Bonds

About 7-hydroxy-1,1,3,3-tetramethyl-4H-naphthalen-2-one

7-hydroxy-1,1,3,3-tetramethyl-4H-naphthalen-2-one (PubChem CID 165352303) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 7-hydroxy-1,1,3,3-tetramethyl-4H-naphthalen-2-one.

Molecular Properties

Compound Name7-hydroxy-1,1,3,3-tetramethyl-4H-naphthalen-2-one
PubChem CID165352303
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name7-hydroxy-1,1,3,3-tetramethyl-4H-naphthalen-2-one
SMILESCC1(C)Cc2ccc(O)cc2C(C)(C)C1=O
InChIInChI=1S/C14H18O2/c1-13(2)8-9-5-6-10(15)7-11(9)14(3,4)12(13)16/h5-7,15H,8H2,1-4H3
InChIKeyNBDHLUPTGGOTOV-UHFFFAOYSA-N
XLogP2.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3,3-dimethyl-1H-2-benzofuran-5-ol
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5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopentane]-1'-one
CID 166172267
ethane;propane;1,1,3,3-tetramethyl-2H-inden-5-ol
CID 142016467
3,3-diamino-1,2-dihydroinden-5-ol
CID 66833532
(3R)-3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-ol
CID 141458229
(2'R,3R)-2'-methylspiro[1,2-dihydroindene-3,1'-cyclopropane]-5-ol
CID 89082538
5-hydroxy-3,3-dimethyl-2H-isoindol-1-one
CID 10773650
1,3,3-trimethyl-1,2-dihydroinden-5-ol
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1,1-dimethyl-3,4-dihydro-2H-isoquinolin-7-ol
CID 84717936
methyl 3-hydroxy-7-methylbicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxylate
CID 170914878

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-1,1,3,3-tetramethyl-4H-naphthalen-2-one?
The IUPAC name of 7-hydroxy-1,1,3,3-tetramethyl-4H-naphthalen-2-one (CID 165352303) is 7-hydroxy-1,1,3,3-tetramethyl-4H-naphthalen-2-one.
What is the SMILES notation for 7-hydroxy-1,1,3,3-tetramethyl-4H-naphthalen-2-one?
The canonical SMILES for 7-hydroxy-1,1,3,3-tetramethyl-4H-naphthalen-2-one is CC1(C)Cc2ccc(O)cc2C(C)(C)C1=O.
What is the InChIKey of 7-hydroxy-1,1,3,3-tetramethyl-4H-naphthalen-2-one?
The InChIKey is NBDHLUPTGGOTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-13(2)8-9-5-6-10(15)7-11(9)14(3,4)12(13)16/h5-7,15H,8H2,1-4H3.
What are the key properties of 7-hydroxy-1,1,3,3-tetramethyl-4H-naphthalen-2-one?
7-hydroxy-1,1,3,3-tetramethyl-4H-naphthalen-2-one has a molecular weight of 218.30 g/mol, XLogP of 2.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-1,1,3,3-tetramethyl-4H-naphthalen-2-one is sourced from PubChem (CID 165352303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).