2-(5-chloro-2-methoxyphenyl)-2-methyl-1,3-dioxolane

C11H13ClO3 — CID 82128354

IUPAC2-(5-chloro-2-methoxyphenyl)-2-methyl-1,3-dioxolane
SMILESCOc1ccc(Cl)cc1C1(C)OCCO1
InChIInChI=1S/C11H13ClO3/c1-11(14-5-6-15-11)9-7-8(12)3-4-10(9)13-2/h3-4,7H,5-6H2,1-2H3
InChIKeyGPXCDZGCWAOJFE-UHFFFAOYSA-N
MW228.67 g/mol
LogP2.57
Rot. Bonds2

About 2-(5-chloro-2-methoxyphenyl)-2-methyl-1,3-dioxolane

2-(5-chloro-2-methoxyphenyl)-2-methyl-1,3-dioxolane (PubChem CID 82128354) has the molecular formula C11H13ClO3 and a molecular weight of 228.67 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-2-methyl-1,3-dioxolane
PubChem CID82128354
Molecular FormulaC11H13ClO3
Molecular Weight228.67 g/mol
Exact Mass228.06
IUPAC Name2-(5-chloro-2-methoxyphenyl)-2-methyl-1,3-dioxolane
SMILESCOc1ccc(Cl)cc1C1(C)OCCO1
InChIInChI=1S/C11H13ClO3/c1-11(14-5-6-15-11)9-7-8(12)3-4-10(9)13-2/h3-4,7H,5-6H2,1-2H3
InChIKeyGPXCDZGCWAOJFE-UHFFFAOYSA-N
XLogP2.57
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.67
LogP ≤ 52.57
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-(5-chloro-2-methoxyphenyl)-1,3-dioxan-2-yl]methanamine
CID 82132431
1-(5-chloro-2-methoxyphenyl)-2,2-dimethylcyclopropan-1-amine
CID 83692070
1-(5-chloro-2-methoxyphenyl)cyclobutan-1-amine
CID 43146587
3-(5-chloro-2-methoxyphenyl)-3-fluorocyclobutan-1-amine
CID 112564095
2-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1,3-dioxane
CID 82131495
2-(2-fluoro-4-methoxyphenyl)-2-methyl-1,3-dioxolane
CID 22615139
2-(5-chloro-2-methoxyphenyl)-7-oxaspiro[3.5]nonane-2-carbonitrile
CID 65006496
5-(5-chloro-2-methoxyphenyl)-3,5-dimethyl-1,3-oxazolidin-2-one
CID 82088842
2-(5-chloro-2-methoxyphenyl)spiro[3.4]octan-2-amine
CID 65002776
[1-(5-chloro-2-methoxyphenyl)-2-methylcyclopropyl]methanol
CID 116842455
2-(5-chloro-2-methoxyphenyl)oxirane
CID 82075180

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-2-methyl-1,3-dioxolane?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-2-methyl-1,3-dioxolane (CID 82128354) is 2-(5-chloro-2-methoxyphenyl)-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-2-methyl-1,3-dioxolane is COc1ccc(Cl)cc1C1(C)OCCO1.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-2-methyl-1,3-dioxolane?
The InChIKey is GPXCDZGCWAOJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO3/c1-11(14-5-6-15-11)9-7-8(12)3-4-10(9)13-2/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-2-methyl-1,3-dioxolane?
2-(5-chloro-2-methoxyphenyl)-2-methyl-1,3-dioxolane has a molecular weight of 228.67 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-2-methyl-1,3-dioxolane is sourced from PubChem (CID 82128354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).