1-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone

C13H16O — CID 58246462

IUPAC1-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)C(C)CCC2
InChIInChI=1S/C13H16O/c1-9-4-3-5-11-6-7-12(10(2)14)8-13(9)11/h6-9H,3-5H2,1-2H3
InChIKeyZRZGMTDLENRWND-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.33
Rot. Bonds1

About 1-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone

1-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone (PubChem CID 58246462) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name1-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
PubChem CID58246462
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name1-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)C(C)CCC2
InChIInChI=1S/C13H16O/c1-9-4-3-5-11-6-7-12(10(2)14)8-13(9)11/h6-9H,3-5H2,1-2H3
InChIKeyZRZGMTDLENRWND-UHFFFAOYSA-N
XLogP3.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 58246497
1-(3-amino-2,3-dihydro-1H-inden-5-yl)ethanone
CID 90845496
1-(8,10-dimethyl-5,6,7,8-tetrahydrophenanthren-2-yl)ethanone
CID 101076430
5-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 168737750
1-[(5S)-5-amino-5,6,7,8-tetrahydronaphthalen-2-yl]ethanone
CID 130615296
1-(3-propan-2-yl-2,3-dihydro-1H-inden-5-yl)ethanone
CID 72607705
(8R)-8-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 57293578
ethane;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 123573357
2,2-dimethyl-3-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 117368524
(1R)-1-methyl-7-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene
CID 118084320
(1S)-7-isocyano-1-methyl-1,2,3,4-tetrahydronaphthalene
CID 159491747
acetaldehyde;7-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene
CID 175495891

Frequently Asked Questions

What is the IUPAC name of 1-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The IUPAC name of 1-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone (CID 58246462) is 1-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone.
What is the SMILES notation for 1-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The canonical SMILES for 1-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone is CC(=O)c1ccc2c(c1)C(C)CCC2.
What is the InChIKey of 1-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The InChIKey is ZRZGMTDLENRWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-9-4-3-5-11-6-7-12(10(2)14)8-13(9)11/h6-9H,3-5H2,1-2H3.
What are the key properties of 1-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
1-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone has a molecular weight of 188.27 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone is sourced from PubChem (CID 58246462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).