2-(4-butoxyphenyl)-4-ethyl-1,3-dioxane

C16H24O3 — CID 23041443

IUPAC2-(4-butoxyphenyl)-4-ethyl-1,3-dioxane
SMILESCCCCOc1ccc(C2OCCC(CC)O2)cc1
InChIInChI=1S/C16H24O3/c1-3-5-11-17-15-8-6-13(7-9-15)16-18-12-10-14(4-2)19-16/h6-9,14,16H,3-5,10-12H2,1-2H3
InChIKeyBQQJJLPUOBBESO-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.08
Rot. Bonds6

About 2-(4-butoxyphenyl)-4-ethyl-1,3-dioxane

2-(4-butoxyphenyl)-4-ethyl-1,3-dioxane (PubChem CID 23041443) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(4-butoxyphenyl)-4-ethyl-1,3-dioxane.

Molecular Properties

Compound Name2-(4-butoxyphenyl)-4-ethyl-1,3-dioxane
PubChem CID23041443
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name2-(4-butoxyphenyl)-4-ethyl-1,3-dioxane
SMILESCCCCOc1ccc(C2OCCC(CC)O2)cc1
InChIInChI=1S/C16H24O3/c1-3-5-11-17-15-8-6-13(7-9-15)16-18-12-10-14(4-2)19-16/h6-9,14,16H,3-5,10-12H2,1-2H3
InChIKeyBQQJJLPUOBBESO-UHFFFAOYSA-N
XLogP4.08
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(4-butoxyphenyl)-4-ethyl-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

2-(4-butoxyphenyl)-4-pentyl-1,3-dioxane
CID 23041609
4-heptyl-2-(4-methoxyphenyl)-1,3-dioxane
CID 23041057
2-[4-[2-(4-pentoxyphenyl)ethynyl]phenyl]-1,3-dioxolane
CID 172830179
4-(chloromethyl)-2-(4-propoxyphenyl)-1,3-dioxolane
CID 82774938
4-pentyl-2-(4-pentylphenyl)-1,3-dioxane
CID 23041374
2-(4-butylphenyl)-4-propyl-1,3-dioxane
CID 23041362
(4S)-4-(hexadecoxymethyl)-2-phenyl-1,3-dioxane
CID 11475618
4-(4-pentyl-1,3-dioxan-2-yl)benzonitrile
CID 23041541
4-heptyl-2-(4-pentylphenyl)-1,3-dioxane
CID 23041428
2-[4-(2-ethenoxyethoxy)phenyl]-4,6-diethyl-1,3-dioxane
CID 21026948
2-(4-butoxyphenyl)-5-heptyl-4-methyl-1,3-dioxane
CID 54505842
2-[2-(4-methoxyphenyl)-1,3-dioxan-4-yl]ethoxy-dimethylsilane
CID 175588406

Frequently Asked Questions

What is the IUPAC name of 2-(4-butoxyphenyl)-4-ethyl-1,3-dioxane?
The IUPAC name of 2-(4-butoxyphenyl)-4-ethyl-1,3-dioxane (CID 23041443) is 2-(4-butoxyphenyl)-4-ethyl-1,3-dioxane.
What is the SMILES notation for 2-(4-butoxyphenyl)-4-ethyl-1,3-dioxane?
The canonical SMILES for 2-(4-butoxyphenyl)-4-ethyl-1,3-dioxane is CCCCOc1ccc(C2OCCC(CC)O2)cc1.
What is the InChIKey of 2-(4-butoxyphenyl)-4-ethyl-1,3-dioxane?
The InChIKey is BQQJJLPUOBBESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-3-5-11-17-15-8-6-13(7-9-15)16-18-12-10-14(4-2)19-16/h6-9,14,16H,3-5,10-12H2,1-2H3.
What are the key properties of 2-(4-butoxyphenyl)-4-ethyl-1,3-dioxane?
2-(4-butoxyphenyl)-4-ethyl-1,3-dioxane has a molecular weight of 264.37 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butoxyphenyl)-4-ethyl-1,3-dioxane is sourced from PubChem (CID 23041443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).