1-(5,6-dihydronaphthalen-1-yl)-2-methylbutan-1-one

C15H18O — CID 177180647

IUPAC1-(5,6-dihydronaphthalen-1-yl)-2-methylbutan-1-one
SMILESCCC(C)C(=O)c1cccc2c1C=CCC2
InChIInChI=1S/C15H18O/c1-3-11(2)15(16)14-10-6-8-12-7-4-5-9-13(12)14/h5-6,8-11H,3-4,7H2,1-2H3
InChIKeyDCCQYGRLKLOYKJ-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.87
Rot. Bonds3

About 1-(5,6-dihydronaphthalen-1-yl)-2-methylbutan-1-one

1-(5,6-dihydronaphthalen-1-yl)-2-methylbutan-1-one (PubChem CID 177180647) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-(5,6-dihydronaphthalen-1-yl)-2-methylbutan-1-one.

Molecular Properties

Compound Name1-(5,6-dihydronaphthalen-1-yl)-2-methylbutan-1-one
PubChem CID177180647
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name1-(5,6-dihydronaphthalen-1-yl)-2-methylbutan-1-one
SMILESCCC(C)C(=O)c1cccc2c1C=CCC2
InChIInChI=1S/C15H18O/c1-3-11(2)15(16)14-10-6-8-12-7-4-5-9-13(12)14/h5-6,8-11H,3-4,7H2,1-2H3
InChIKeyDCCQYGRLKLOYKJ-UHFFFAOYSA-N
XLogP3.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-oxo-5,6-dihydronaphthalene-1-carboxamide
CID 89159076
1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylbutan-1-one
CID 114744106
ethane;methyl (2R)-3-(5,6-dihydronaphthalen-1-yl)-2-methylpropanoate
CID 142994213
N-(5,6-dihydronaphthalen-1-ylmethyl)propanamide
CID 153344139
(5Z)-7,8,9,10-tetrahydrobenzo[8]annulene-4-carboxylic acid
CID 22261741
1-(3-chloro-2-methylphenyl)-2-methylbutan-1-one
CID 107101742
2-(2-methylbutanoyl)-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 113426560
N-(5,6-dihydronaphthalen-1-ylsulfonyl)acetamide;ethane
CID 144593271
1-[4-(5,6-dihydronaphthalen-1-yloxy)-1-propan-2-ylpyrrolidin-2-yl]ethanone
CID 67518479
1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylpentan-1-one
CID 115814227
2-methyl-1-(2-methyl-1H-indol-7-yl)butan-1-one
CID 126675965
1-(2-chloro-4-hydroxyphenyl)-2-methylbutan-1-one
CID 139652422

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydronaphthalen-1-yl)-2-methylbutan-1-one?
The IUPAC name of 1-(5,6-dihydronaphthalen-1-yl)-2-methylbutan-1-one (CID 177180647) is 1-(5,6-dihydronaphthalen-1-yl)-2-methylbutan-1-one.
What is the SMILES notation for 1-(5,6-dihydronaphthalen-1-yl)-2-methylbutan-1-one?
The canonical SMILES for 1-(5,6-dihydronaphthalen-1-yl)-2-methylbutan-1-one is CCC(C)C(=O)c1cccc2c1C=CCC2.
What is the InChIKey of 1-(5,6-dihydronaphthalen-1-yl)-2-methylbutan-1-one?
The InChIKey is DCCQYGRLKLOYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O/c1-3-11(2)15(16)14-10-6-8-12-7-4-5-9-13(12)14/h5-6,8-11H,3-4,7H2,1-2H3.
What are the key properties of 1-(5,6-dihydronaphthalen-1-yl)-2-methylbutan-1-one?
1-(5,6-dihydronaphthalen-1-yl)-2-methylbutan-1-one has a molecular weight of 214.31 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydronaphthalen-1-yl)-2-methylbutan-1-one is sourced from PubChem (CID 177180647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).