2-[3-tert-butyl-4-(2-methylpropoxy)phenyl]-2-propyl-1,3-dioxolane

C20H32O3 — CID 83958252

IUPAC2-[3-tert-butyl-4-(2-methylpropoxy)phenyl]-2-propyl-1,3-dioxolane
SMILESCCCC1(c2ccc(OCC(C)C)c(C(C)(C)C)c2)OCCO1
InChIInChI=1S/C20H32O3/c1-7-10-20(22-11-12-23-20)16-8-9-18(21-14-15(2)3)17(13-16)19(4,5)6/h8-9,13,15H,7,10-12,14H2,1-6H3
InChIKeyZZAXXSOZNISZMC-UHFFFAOYSA-N
MW320.47 g/mol
LogP5.02
Rot. Bonds6

About 2-[3-tert-butyl-4-(2-methylpropoxy)phenyl]-2-propyl-1,3-dioxolane

2-[3-tert-butyl-4-(2-methylpropoxy)phenyl]-2-propyl-1,3-dioxolane (PubChem CID 83958252) has the molecular formula C20H32O3 and a molecular weight of 320.47 g/mol. Its IUPAC name is 2-[3-tert-butyl-4-(2-methylpropoxy)phenyl]-2-propyl-1,3-dioxolane.

Molecular Properties

Compound Name2-[3-tert-butyl-4-(2-methylpropoxy)phenyl]-2-propyl-1,3-dioxolane
PubChem CID83958252
Molecular FormulaC20H32O3
Molecular Weight320.47 g/mol
Exact Mass320.24
IUPAC Name2-[3-tert-butyl-4-(2-methylpropoxy)phenyl]-2-propyl-1,3-dioxolane
SMILESCCCC1(c2ccc(OCC(C)C)c(C(C)(C)C)c2)OCCO1
InChIInChI=1S/C20H32O3/c1-7-10-20(22-11-12-23-20)16-8-9-18(21-14-15(2)3)17(13-16)19(4,5)6/h8-9,13,15H,7,10-12,14H2,1-6H3
InChIKeyZZAXXSOZNISZMC-UHFFFAOYSA-N
XLogP5.02
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.47
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[3-tert-butyl-4-(2-methylpropoxy)phenyl]-2-propyl-1,3-dioxolane 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

1-(2-(2-(2-Methoxyethoxy)Ethoxy)Ethoxy)-4-(1,1,3,3-Tetramethylbutyl)Benzene
CID 446308
(2R,3R)-2-(4-methoxyphenyl)-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydrobenzofuran
CID 10564716
Xyloallenolide B
CID 24970515
2-{2-[4-(3,6-Dimethylheptan-3-yl)phenoxy]ethoxy}ethanol
CID 46781372
Benzene, 1-[2-(2-chloroethoxy)ethoxy]-2-methyl-4-(1,1,3,3-tetramethylbutyl)-
CID 6455213
2-[2-[[2-[[2-[2-(2-Hydroxyethoxy)ethoxymethoxy]-3-[[2-[2-(2-hydroxyethoxy)ethoxymethoxy]-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenoxy]methoxy]ethoxy]ethanol
CID 6604381
1-Butoxy-2-(4-butoxy-3-prop-2-enylphenyl)-4-prop-2-enylbenzene
CID 127046164
2-[2-(2,4-Dimethylphenoxy)ethoxy]oxane
CID 10922954
1-Pentoxy-2-(4-pentoxy-3-prop-2-enylphenyl)-4-prop-2-enylbenzene
CID 56682169
2,2-Bis(4-methoxyphenyl)-1,3-dioxolane
CID 118323133
1-(2,2-Diethoxyethoxy)-4-(1,1-dimethylpropyl)benzene
CID 3023840
(2R,3S,3aR,5R,7aS)-2-(3,4-dimethoxyphenyl)-5,7a-dimethoxy-3-methyl-3a-prop-2-enyl-2,3,4,5-tetrahydro-1-benzofuran
CID 101663199

Frequently Asked Questions

What is the IUPAC name of 2-[3-tert-butyl-4-(2-methylpropoxy)phenyl]-2-propyl-1,3-dioxolane?
The IUPAC name of 2-[3-tert-butyl-4-(2-methylpropoxy)phenyl]-2-propyl-1,3-dioxolane (CID 83958252) is 2-[3-tert-butyl-4-(2-methylpropoxy)phenyl]-2-propyl-1,3-dioxolane.
What is the SMILES notation for 2-[3-tert-butyl-4-(2-methylpropoxy)phenyl]-2-propyl-1,3-dioxolane?
The canonical SMILES for 2-[3-tert-butyl-4-(2-methylpropoxy)phenyl]-2-propyl-1,3-dioxolane is CCCC1(c2ccc(OCC(C)C)c(C(C)(C)C)c2)OCCO1.
What is the InChIKey of 2-[3-tert-butyl-4-(2-methylpropoxy)phenyl]-2-propyl-1,3-dioxolane?
The InChIKey is ZZAXXSOZNISZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O3/c1-7-10-20(22-11-12-23-20)16-8-9-18(21-14-15(2)3)17(13-16)19(4,5)6/h8-9,13,15H,7,10-12,14H2,1-6H3.
What are the key properties of 2-[3-tert-butyl-4-(2-methylpropoxy)phenyl]-2-propyl-1,3-dioxolane?
2-[3-tert-butyl-4-(2-methylpropoxy)phenyl]-2-propyl-1,3-dioxolane has a molecular weight of 320.47 g/mol, XLogP of 5.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-tert-butyl-4-(2-methylpropoxy)phenyl]-2-propyl-1,3-dioxolane is sourced from PubChem (CID 83958252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).