4-methyl-2-(4-propan-2-yloxyphenyl)-1,3-dioxolane

C13H18O3 — CID 70936320

IUPAC4-methyl-2-(4-propan-2-yloxyphenyl)-1,3-dioxolane
SMILESCC(C)Oc1ccc(C2OCC(C)O2)cc1
InChIInChI=1S/C13H18O3/c1-9(2)15-12-6-4-11(5-7-12)13-14-8-10(3)16-13/h4-7,9-10,13H,8H2,1-3H3
InChIKeyHKTIWKVSJFWPBH-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.91
Rot. Bonds3

About 4-methyl-2-(4-propan-2-yloxyphenyl)-1,3-dioxolane

4-methyl-2-(4-propan-2-yloxyphenyl)-1,3-dioxolane (PubChem CID 70936320) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 4-methyl-2-(4-propan-2-yloxyphenyl)-1,3-dioxolane.

Molecular Properties

Compound Name4-methyl-2-(4-propan-2-yloxyphenyl)-1,3-dioxolane
PubChem CID70936320
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name4-methyl-2-(4-propan-2-yloxyphenyl)-1,3-dioxolane
SMILESCC(C)Oc1ccc(C2OCC(C)O2)cc1
InChIInChI=1S/C13H18O3/c1-9(2)15-12-6-4-11(5-7-12)13-14-8-10(3)16-13/h4-7,9-10,13H,8H2,1-3H3
InChIKeyHKTIWKVSJFWPBH-UHFFFAOYSA-N
XLogP2.91
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-methyl-2-(4-propan-2-yloxyphenyl)-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

(2R)-2-(4-propan-2-yloxyphenyl)oxirane
CID 30071232
4-methyl-2-(4-prop-2-enoxyphenyl)-1,3-dioxolane
CID 123516805
2-(4-ethynylphenyl)-4-methyl-1,3-dioxolane
CID 142400079
(2S,4S,5S)-2-(4-methoxyphenyl)-4-[(2S,4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-5-methyl-1,3-dioxane
CID 11825831
(2S,4S,5S)-4-[(2S,4R)-3-methoxy-4-[(2R,4R,5R)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]pentan-2-yl]-2-(4-methoxyphenyl)-5-methyl-1,3-dioxane
CID 11733998
3-(4-propan-2-yloxyphenoxy)azetidine
CID 138962087
(2S,4R,5R)-4-[(2R,4R,5R)-5-hydroxy-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]-2-(4-methoxyphenyl)-1,3-dioxan-5-ol
CID 86310159
2-(4-propan-2-yloxyphenyl)indene-1,3-dione
CID 159652918
(2R)-2-[(4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]propanal
CID 87897708
(2S)-2-[(2S,4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]propan-1-ol
CID 129384933
oxidanium;2-methoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol;propane-1,2-diol;hydrate
CID 161042496
2,2-diethyl-3-(4-propan-2-yloxyphenyl)cyclobutan-1-one
CID 81415345

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-propan-2-yloxyphenyl)-1,3-dioxolane?
The IUPAC name of 4-methyl-2-(4-propan-2-yloxyphenyl)-1,3-dioxolane (CID 70936320) is 4-methyl-2-(4-propan-2-yloxyphenyl)-1,3-dioxolane.
What is the SMILES notation for 4-methyl-2-(4-propan-2-yloxyphenyl)-1,3-dioxolane?
The canonical SMILES for 4-methyl-2-(4-propan-2-yloxyphenyl)-1,3-dioxolane is CC(C)Oc1ccc(C2OCC(C)O2)cc1.
What is the InChIKey of 4-methyl-2-(4-propan-2-yloxyphenyl)-1,3-dioxolane?
The InChIKey is HKTIWKVSJFWPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-9(2)15-12-6-4-11(5-7-12)13-14-8-10(3)16-13/h4-7,9-10,13H,8H2,1-3H3.
What are the key properties of 4-methyl-2-(4-propan-2-yloxyphenyl)-1,3-dioxolane?
4-methyl-2-(4-propan-2-yloxyphenyl)-1,3-dioxolane has a molecular weight of 222.28 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-propan-2-yloxyphenyl)-1,3-dioxolane is sourced from PubChem (CID 70936320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).