2-(2-ethoxy-5-fluorophenyl)-2-methyl-1,3-dioxolane

C12H15FO3 — CID 83959424

IUPAC2-(2-ethoxy-5-fluorophenyl)-2-methyl-1,3-dioxolane
SMILESCCOc1ccc(F)cc1C1(C)OCCO1
InChIInChI=1S/C12H15FO3/c1-3-14-11-5-4-9(13)8-10(11)12(2)15-6-7-16-12/h4-5,8H,3,6-7H2,1-2H3
InChIKeyPCBXFJFUYXENFI-UHFFFAOYSA-N
MW226.25 g/mol
LogP2.44
Rot. Bonds3

About 2-(2-ethoxy-5-fluorophenyl)-2-methyl-1,3-dioxolane

2-(2-ethoxy-5-fluorophenyl)-2-methyl-1,3-dioxolane (PubChem CID 83959424) has the molecular formula C12H15FO3 and a molecular weight of 226.25 g/mol. Its IUPAC name is 2-(2-ethoxy-5-fluorophenyl)-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(2-ethoxy-5-fluorophenyl)-2-methyl-1,3-dioxolane
PubChem CID83959424
Molecular FormulaC12H15FO3
Molecular Weight226.25 g/mol
Exact Mass226.10
IUPAC Name2-(2-ethoxy-5-fluorophenyl)-2-methyl-1,3-dioxolane
SMILESCCOc1ccc(F)cc1C1(C)OCCO1
InChIInChI=1S/C12H15FO3/c1-3-14-11-5-4-9(13)8-10(11)12(2)15-6-7-16-12/h4-5,8H,3,6-7H2,1-2H3
InChIKeyPCBXFJFUYXENFI-UHFFFAOYSA-N
XLogP2.44
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methyl-1,3-dioxolane
CID 83949742
2-(4-ethoxy-2,3-dimethylphenyl)-2-methyl-1,3-dioxolane
CID 83958916
2-(2-bromo-5-fluorophenyl)-2-methyl-1,3-dioxolane
CID 22735928
2-(5-fluoro-2-methoxyphenyl)-2-propyl-1,3-dioxolane
CID 83959412
2-(5-fluoro-2-octoxyphenyl)-2-methyloxirane
CID 86036899
ethane;1-ethoxy-2,4-difluorobenzene
CID 142043713
2-(4-ethoxyphenyl)-2-methyl-1,3-dioxolane
CID 82126602
3-(2-ethoxy-5-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171955105
3-(2-ethoxy-5-fluorophenyl)-8-thiabicyclo[3.2.1]octan-3-ol
CID 171955112
[2-(5-fluoro-2-methoxyphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine
CID 82117511
2-(5-tert-butyl-2-ethoxyphenyl)-2-ethyl-1,3-dioxolane
CID 83958354
2-(5-chloro-2-methoxyphenyl)-2-methyl-1,3-dioxolane
CID 82128354

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-5-fluorophenyl)-2-methyl-1,3-dioxolane?
The IUPAC name of 2-(2-ethoxy-5-fluorophenyl)-2-methyl-1,3-dioxolane (CID 83959424) is 2-(2-ethoxy-5-fluorophenyl)-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-(2-ethoxy-5-fluorophenyl)-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-(2-ethoxy-5-fluorophenyl)-2-methyl-1,3-dioxolane is CCOc1ccc(F)cc1C1(C)OCCO1.
What is the InChIKey of 2-(2-ethoxy-5-fluorophenyl)-2-methyl-1,3-dioxolane?
The InChIKey is PCBXFJFUYXENFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO3/c1-3-14-11-5-4-9(13)8-10(11)12(2)15-6-7-16-12/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of 2-(2-ethoxy-5-fluorophenyl)-2-methyl-1,3-dioxolane?
2-(2-ethoxy-5-fluorophenyl)-2-methyl-1,3-dioxolane has a molecular weight of 226.25 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-5-fluorophenyl)-2-methyl-1,3-dioxolane is sourced from PubChem (CID 83959424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).