butan-2-ol;4-ethyl-6-methyl-2-phenyl-1,3-dioxane

C17H28O3 — CID 91399868

IUPACbutan-2-ol;4-ethyl-6-methyl-2-phenyl-1,3-dioxane
SMILESCCC(C)O.CCC1CC(C)OC(c2ccccc2)O1
InChIInChI=1S/C13H18O2.C4H10O/c1-3-12-9-10(2)14-13(15-12)11-7-5-4-6-8-11;1-3-4(2)5/h4-8,10,12-13H,3,9H2,1-2H3;4-5H,3H2,1-2H3
InChIKeyHYBYPFBQDMYUMW-UHFFFAOYSA-N
MW280.41 g/mol
LogP4.07
Rot. Bonds3

About butan-2-ol;4-ethyl-6-methyl-2-phenyl-1,3-dioxane

butan-2-ol;4-ethyl-6-methyl-2-phenyl-1,3-dioxane (PubChem CID 91399868) has the molecular formula C17H28O3 and a molecular weight of 280.41 g/mol. Its IUPAC name is butan-2-ol;4-ethyl-6-methyl-2-phenyl-1,3-dioxane.

Molecular Properties

Compound Namebutan-2-ol;4-ethyl-6-methyl-2-phenyl-1,3-dioxane
PubChem CID91399868
Molecular FormulaC17H28O3
Molecular Weight280.41 g/mol
Exact Mass280.20
IUPAC Namebutan-2-ol;4-ethyl-6-methyl-2-phenyl-1,3-dioxane
SMILESCCC(C)O.CCC1CC(C)OC(c2ccccc2)O1
InChIInChI=1S/C13H18O2.C4H10O/c1-3-12-9-10(2)14-13(15-12)11-7-5-4-6-8-11;1-3-4(2)5/h4-8,10,12-13H,3,9H2,1-2H3;4-5H,3H2,1-2H3
InChIKeyHYBYPFBQDMYUMW-UHFFFAOYSA-N
XLogP4.07
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze butan-2-ol;4-ethyl-6-methyl-2-phenyl-1,3-dioxane 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

4-(4-ethyl-6-methyl-1,3-dioxan-2-yl)benzoic acid
CID 23561892
4-(4-ethyl-6-methyl-1,3-dioxan-2-yl)pyridine
CID 155766247
methyl 2-(6-methyl-2-phenyl-1,3-dioxan-4-yl)acetate
CID 91609014
2-[(2S,4S,6S)-6-[[(2S,4S,6S)-6-methyl-2-phenyl-1,3-dioxan-4-yl]methyl]-2-phenyl-1,3-dioxan-4-yl]acetaldehyde
CID 11749823
2-[(6S)-4-[5-[6-ethyl-2-(2-hydroxyphenyl)-1,3-dioxan-4-yl]-2-hydroxypentyl]-6-methyl-1,3-dioxan-2-yl]phenol
CID 126546023
1-[2-[4-(2-ethenoxyethynoxy)phenyl]-6-ethyl-1,3-dioxan-4-yl]propan-2-ol
CID 21365398
2,4-diethyl-6-phenyl-1,3-dioxane
CID 71439891
4-ethyl-2-(3-fluoro-2-methylphenyl)-6-methyl-1,3-dioxane
CID 59916910
2-(4,6-diethyl-1,3-dioxan-2-yl)phenol
CID 126548901
butan-2-ol;butan-2-yl acetate;4-ethyl-2,6-dimethyl-1,3-dioxane
CID 160815637
4-ethyl-6-methyl-2-propan-2-yl-1,3-dioxane
CID 118673252
(4S)-4,5-dimethyl-2-phenyl-1,3-dioxolane
CID 68508640

Frequently Asked Questions

What is the IUPAC name of butan-2-ol;4-ethyl-6-methyl-2-phenyl-1,3-dioxane?
The IUPAC name of butan-2-ol;4-ethyl-6-methyl-2-phenyl-1,3-dioxane (CID 91399868) is butan-2-ol;4-ethyl-6-methyl-2-phenyl-1,3-dioxane.
What is the SMILES notation for butan-2-ol;4-ethyl-6-methyl-2-phenyl-1,3-dioxane?
The canonical SMILES for butan-2-ol;4-ethyl-6-methyl-2-phenyl-1,3-dioxane is CCC(C)O.CCC1CC(C)OC(c2ccccc2)O1.
What is the InChIKey of butan-2-ol;4-ethyl-6-methyl-2-phenyl-1,3-dioxane?
The InChIKey is HYBYPFBQDMYUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2.C4H10O/c1-3-12-9-10(2)14-13(15-12)11-7-5-4-6-8-11;1-3-4(2)5/h4-8,10,12-13H,3,9H2,1-2H3;4-5H,3H2,1-2H3.
What are the key properties of butan-2-ol;4-ethyl-6-methyl-2-phenyl-1,3-dioxane?
butan-2-ol;4-ethyl-6-methyl-2-phenyl-1,3-dioxane has a molecular weight of 280.41 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-ol;4-ethyl-6-methyl-2-phenyl-1,3-dioxane is sourced from PubChem (CID 91399868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).