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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-butan-2-yl-2,3-dihydroinden-1-one
CID 146549905
(3R)-3-hydroxy-3-methyl-1H-inden-2-one
CID 100988192
(1S,2S,4S)-4-[(2R)-butan-2-yl]-1,2-dimethyl-1,2,3,4-tetrahydronaphthalene
CID 123233367
1-(1-bromopropyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 79308414
1-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)ethanol
CID 66436316
13-butan-2-yl-3,4,5-triazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2,5,7,9,11,15,17-octaene
CID 156718937
(1R,3R)-3-ethyl-1-methyl-3H-2-benzofuran-1-ol
CID 15741867
4-butan-2-yl-2-methyl-1,2,3,4-tetrahydroquinoline
CID 106780808
3-[(2S)-butan-2-yl]-3H-2-benzofuran-1-one
CID 90910202
N-butan-2-yl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 4616929
diethyl 2-[(1R,2R)-2-formyl-2,3-dihydro-1H-inden-1-yl]propanedioate
CID 11623641
3,5-di(butan-2-yl)cyclohexane-1,2-dione
CID 24973311

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).