2-(4-butylphenyl)-4-propyl-1,3-dioxane

C17H26O2 — CID 23041362

IUPAC2-(4-butylphenyl)-4-propyl-1,3-dioxane
SMILESCCCCc1ccc(C2OCCC(CCC)O2)cc1
InChIInChI=1S/C17H26O2/c1-3-5-7-14-8-10-15(11-9-14)17-18-13-12-16(19-17)6-4-2/h8-11,16-17H,3-7,12-13H2,1-2H3
InChIKeySMEQRKZEKRNHDK-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.63
Rot. Bonds6

About 2-(4-butylphenyl)-4-propyl-1,3-dioxane

2-(4-butylphenyl)-4-propyl-1,3-dioxane (PubChem CID 23041362) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 2-(4-butylphenyl)-4-propyl-1,3-dioxane.

Molecular Properties

Compound Name2-(4-butylphenyl)-4-propyl-1,3-dioxane
PubChem CID23041362
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name2-(4-butylphenyl)-4-propyl-1,3-dioxane
SMILESCCCCc1ccc(C2OCCC(CCC)O2)cc1
InChIInChI=1S/C17H26O2/c1-3-5-7-14-8-10-15(11-9-14)17-18-13-12-16(19-17)6-4-2/h8-11,16-17H,3-7,12-13H2,1-2H3
InChIKeySMEQRKZEKRNHDK-UHFFFAOYSA-N
XLogP4.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-butylphenyl)-4-propyl-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-pentyl-2-(4-pentylphenyl)-1,3-dioxane
CID 23041374
4-heptyl-2-(4-pentylphenyl)-1,3-dioxane
CID 23041428
2-(4-butoxyphenyl)-4-pentyl-1,3-dioxane
CID 23041609
4-heptyl-2-(4-methoxyphenyl)-1,3-dioxane
CID 23041057
4-(4-pentyl-1,3-dioxan-2-yl)benzonitrile
CID 23041541
2-(4-butoxyphenyl)-4-ethyl-1,3-dioxane
CID 23041443
3,6-bis(4-butylphenyl)-1,2,4,5-tetraoxane
CID 44573810
(2R,5S)-2-[4-(4-butylphenyl)phenyl]-5-propyl-1,4-dioxane
CID 54058550
3,9-bis(4-octadecylphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane
CID 139895760
5-butyl-4-methyl-2-(4-propylphenyl)-1,3-dioxane
CID 54287850
(4S)-4-(hexadecoxymethyl)-2-phenyl-1,3-dioxane
CID 11475618
2-fluoro-4-(4-heptyl-1,3-dioxan-2-yl)benzonitrile
CID 23041388

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenyl)-4-propyl-1,3-dioxane?
The IUPAC name of 2-(4-butylphenyl)-4-propyl-1,3-dioxane (CID 23041362) is 2-(4-butylphenyl)-4-propyl-1,3-dioxane.
What is the SMILES notation for 2-(4-butylphenyl)-4-propyl-1,3-dioxane?
The canonical SMILES for 2-(4-butylphenyl)-4-propyl-1,3-dioxane is CCCCc1ccc(C2OCCC(CCC)O2)cc1.
What is the InChIKey of 2-(4-butylphenyl)-4-propyl-1,3-dioxane?
The InChIKey is SMEQRKZEKRNHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-3-5-7-14-8-10-15(11-9-14)17-18-13-12-16(19-17)6-4-2/h8-11,16-17H,3-7,12-13H2,1-2H3.
What are the key properties of 2-(4-butylphenyl)-4-propyl-1,3-dioxane?
2-(4-butylphenyl)-4-propyl-1,3-dioxane has a molecular weight of 262.39 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenyl)-4-propyl-1,3-dioxane is sourced from PubChem (CID 23041362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).