1-methyl-1-(3-oxobutyl)-3,4-dihydronaphthalen-2-one

C15H18O2 — CID 15148757

IUPAC1-methyl-1-(3-oxobutyl)-3,4-dihydronaphthalen-2-one
SMILESCC(=O)CCC1(C)C(=O)CCc2ccccc21
InChIInChI=1S/C15H18O2/c1-11(16)9-10-15(2)13-6-4-3-5-12(13)7-8-14(15)17/h3-6H,7-10H2,1-2H3
InChIKeyYNLGRKJRSRAVHV-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.83
Rot. Bonds3

About 1-methyl-1-(3-oxobutyl)-3,4-dihydronaphthalen-2-one

1-methyl-1-(3-oxobutyl)-3,4-dihydronaphthalen-2-one (PubChem CID 15148757) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-methyl-1-(3-oxobutyl)-3,4-dihydronaphthalen-2-one.

Molecular Properties

Compound Name1-methyl-1-(3-oxobutyl)-3,4-dihydronaphthalen-2-one
PubChem CID15148757
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name1-methyl-1-(3-oxobutyl)-3,4-dihydronaphthalen-2-one
SMILESCC(=O)CCC1(C)C(=O)CCc2ccccc21
InChIInChI=1S/C15H18O2/c1-11(16)9-10-15(2)13-6-4-3-5-12(13)7-8-14(15)17/h3-6H,7-10H2,1-2H3
InChIKeyYNLGRKJRSRAVHV-UHFFFAOYSA-N
XLogP2.83
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(3-oxobutyl)-3,4-dihydronaphthalen-2-one?
The IUPAC name of 1-methyl-1-(3-oxobutyl)-3,4-dihydronaphthalen-2-one (CID 15148757) is 1-methyl-1-(3-oxobutyl)-3,4-dihydronaphthalen-2-one.
What is the SMILES notation for 1-methyl-1-(3-oxobutyl)-3,4-dihydronaphthalen-2-one?
The canonical SMILES for 1-methyl-1-(3-oxobutyl)-3,4-dihydronaphthalen-2-one is CC(=O)CCC1(C)C(=O)CCc2ccccc21.
What is the InChIKey of 1-methyl-1-(3-oxobutyl)-3,4-dihydronaphthalen-2-one?
The InChIKey is YNLGRKJRSRAVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-11(16)9-10-15(2)13-6-4-3-5-12(13)7-8-14(15)17/h3-6H,7-10H2,1-2H3.
What are the key properties of 1-methyl-1-(3-oxobutyl)-3,4-dihydronaphthalen-2-one?
1-methyl-1-(3-oxobutyl)-3,4-dihydronaphthalen-2-one has a molecular weight of 230.31 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(3-oxobutyl)-3,4-dihydronaphthalen-2-one is sourced from PubChem (CID 15148757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).