2-(4-methoxy-2,6-dimethylphenyl)-2-methyl-1,3-dioxolane

C13H18O3 — CID 83958950

IUPAC2-(4-methoxy-2,6-dimethylphenyl)-2-methyl-1,3-dioxolane
SMILESCOc1cc(C)c(C2(C)OCCO2)c(C)c1
InChIInChI=1S/C13H18O3/c1-9-7-11(14-4)8-10(2)12(9)13(3)15-5-6-16-13/h7-8H,5-6H2,1-4H3
InChIKeyDMKAILKPWAPHAG-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.53
Rot. Bonds2

About 2-(4-methoxy-2,6-dimethylphenyl)-2-methyl-1,3-dioxolane

2-(4-methoxy-2,6-dimethylphenyl)-2-methyl-1,3-dioxolane (PubChem CID 83958950) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-(4-methoxy-2,6-dimethylphenyl)-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(4-methoxy-2,6-dimethylphenyl)-2-methyl-1,3-dioxolane
PubChem CID83958950
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name2-(4-methoxy-2,6-dimethylphenyl)-2-methyl-1,3-dioxolane
SMILESCOc1cc(C)c(C2(C)OCCO2)c(C)c1
InChIInChI=1S/C13H18O3/c1-9-7-11(14-4)8-10(2)12(9)13(3)15-5-6-16-13/h7-8H,5-6H2,1-4H3
InChIKeyDMKAILKPWAPHAG-UHFFFAOYSA-N
XLogP2.53
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxy-4,5-dimethylphenyl)-2-methyl-1,3-dioxolane
CID 82127880
2-(2-fluoro-4-methoxyphenyl)-2-methyl-1,3-dioxolane
CID 22615139
4,4-dicyclohexyl-7-methoxy-5-methyl-1,3-benzodioxine
CID 141379287
N-(2,6-dimethylphenyl)-4-methoxy-2,6-dimethylaniline
CID 146163191
methoxy-bis(4-methoxy-2,6-dimethylphenyl)borane
CID 642713
3-methoxy-5-[(2-methyl-1,3-dioxolan-2-yl)methyl]phenol
CID 53492766
2-(3-chloro-6-ethoxy-2,4-dimethylphenyl)-2-methyl-1,3-dioxolane
CID 83958649
2-(2-methoxy-3,4,6-trimethylphenyl)-2-methyloxirane
CID 116864143
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl-bis(4-methoxy-2,6-dimethylphenyl)phosphane
CID 145039301
1-methoxy-3,5-dimethylbenzene;sulfane
CID 175727345
1,3-dimethoxy-5-methylbenzene;methane
CID 142906999
2-(4-methoxy-2,6-dimethylphenyl)propan-2-amine
CID 82048609

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2,6-dimethylphenyl)-2-methyl-1,3-dioxolane?
The IUPAC name of 2-(4-methoxy-2,6-dimethylphenyl)-2-methyl-1,3-dioxolane (CID 83958950) is 2-(4-methoxy-2,6-dimethylphenyl)-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-(4-methoxy-2,6-dimethylphenyl)-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-(4-methoxy-2,6-dimethylphenyl)-2-methyl-1,3-dioxolane is COc1cc(C)c(C2(C)OCCO2)c(C)c1.
What is the InChIKey of 2-(4-methoxy-2,6-dimethylphenyl)-2-methyl-1,3-dioxolane?
The InChIKey is DMKAILKPWAPHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-9-7-11(14-4)8-10(2)12(9)13(3)15-5-6-16-13/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-(4-methoxy-2,6-dimethylphenyl)-2-methyl-1,3-dioxolane?
2-(4-methoxy-2,6-dimethylphenyl)-2-methyl-1,3-dioxolane has a molecular weight of 222.28 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2,6-dimethylphenyl)-2-methyl-1,3-dioxolane is sourced from PubChem (CID 83958950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).