4-butan-2-yl-1-hydroxy-1-methyl-3,4-dihydronaphthalen-2-one

C15H20O2 — CID 10728296

IUPAC4-butan-2-yl-1-hydroxy-1-methyl-3,4-dihydronaphthalen-2-one
SMILESCCC(C)C1CC(=O)C(C)(O)c2ccccc21
InChIInChI=1S/C15H20O2/c1-4-10(2)12-9-14(16)15(3,17)13-8-6-5-7-11(12)13/h5-8,10,12,17H,4,9H2,1-3H3
InChIKeyXGEIGRZAAWNRHP-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.00
Rot. Bonds2

About 4-butan-2-yl-1-hydroxy-1-methyl-3,4-dihydronaphthalen-2-one

4-butan-2-yl-1-hydroxy-1-methyl-3,4-dihydronaphthalen-2-one (PubChem CID 10728296) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 4-butan-2-yl-1-hydroxy-1-methyl-3,4-dihydronaphthalen-2-one.

Molecular Properties

Compound Name4-butan-2-yl-1-hydroxy-1-methyl-3,4-dihydronaphthalen-2-one
PubChem CID10728296
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name4-butan-2-yl-1-hydroxy-1-methyl-3,4-dihydronaphthalen-2-one
SMILESCCC(C)C1CC(=O)C(C)(O)c2ccccc21
InChIInChI=1S/C15H20O2/c1-4-10(2)12-9-14(16)15(3,17)13-8-6-5-7-11(12)13/h5-8,10,12,17H,4,9H2,1-3H3
InChIKeyXGEIGRZAAWNRHP-UHFFFAOYSA-N
XLogP3.00
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-1-hydroxy-1-methyl-3,4-dihydronaphthalen-2-one?
The IUPAC name of 4-butan-2-yl-1-hydroxy-1-methyl-3,4-dihydronaphthalen-2-one (CID 10728296) is 4-butan-2-yl-1-hydroxy-1-methyl-3,4-dihydronaphthalen-2-one.
What is the SMILES notation for 4-butan-2-yl-1-hydroxy-1-methyl-3,4-dihydronaphthalen-2-one?
The canonical SMILES for 4-butan-2-yl-1-hydroxy-1-methyl-3,4-dihydronaphthalen-2-one is CCC(C)C1CC(=O)C(C)(O)c2ccccc21.
What is the InChIKey of 4-butan-2-yl-1-hydroxy-1-methyl-3,4-dihydronaphthalen-2-one?
The InChIKey is XGEIGRZAAWNRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-4-10(2)12-9-14(16)15(3,17)13-8-6-5-7-11(12)13/h5-8,10,12,17H,4,9H2,1-3H3.
What are the key properties of 4-butan-2-yl-1-hydroxy-1-methyl-3,4-dihydronaphthalen-2-one?
4-butan-2-yl-1-hydroxy-1-methyl-3,4-dihydronaphthalen-2-one has a molecular weight of 232.32 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-1-hydroxy-1-methyl-3,4-dihydronaphthalen-2-one is sourced from PubChem (CID 10728296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).