4-[(3-fluoro-4-methylphenoxy)methyl]-2,2-dimethyl-1,3-dioxolane

C13H17FO3 — CID 23377291

IUPAC4-[(3-fluoro-4-methylphenoxy)methyl]-2,2-dimethyl-1,3-dioxolane
SMILESCc1ccc(OCC2COC(C)(C)O2)cc1F
InChIInChI=1S/C13H17FO3/c1-9-4-5-10(6-12(9)14)15-7-11-8-16-13(2,3)17-11/h4-6,11H,7-8H2,1-3H3
InChIKeyPKWCPQZJPAYVTL-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.66
Rot. Bonds3

About 4-[(3-fluoro-4-methylphenoxy)methyl]-2,2-dimethyl-1,3-dioxolane

4-[(3-fluoro-4-methylphenoxy)methyl]-2,2-dimethyl-1,3-dioxolane (PubChem CID 23377291) has the molecular formula C13H17FO3 and a molecular weight of 240.27 g/mol. Its IUPAC name is 4-[(3-fluoro-4-methylphenoxy)methyl]-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name4-[(3-fluoro-4-methylphenoxy)methyl]-2,2-dimethyl-1,3-dioxolane
PubChem CID23377291
Molecular FormulaC13H17FO3
Molecular Weight240.27 g/mol
Exact Mass240.12
IUPAC Name4-[(3-fluoro-4-methylphenoxy)methyl]-2,2-dimethyl-1,3-dioxolane
SMILESCc1ccc(OCC2COC(C)(C)O2)cc1F
InChIInChI=1S/C13H17FO3/c1-9-4-5-10(6-12(9)14)15-7-11-8-16-13(2,3)17-11/h4-6,11H,7-8H2,1-3H3
InChIKeyPKWCPQZJPAYVTL-UHFFFAOYSA-N
XLogP2.66
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoro-4-methylphenoxy)methyl]-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of 4-[(3-fluoro-4-methylphenoxy)methyl]-2,2-dimethyl-1,3-dioxolane (CID 23377291) is 4-[(3-fluoro-4-methylphenoxy)methyl]-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for 4-[(3-fluoro-4-methylphenoxy)methyl]-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for 4-[(3-fluoro-4-methylphenoxy)methyl]-2,2-dimethyl-1,3-dioxolane is Cc1ccc(OCC2COC(C)(C)O2)cc1F.
What is the InChIKey of 4-[(3-fluoro-4-methylphenoxy)methyl]-2,2-dimethyl-1,3-dioxolane?
The InChIKey is PKWCPQZJPAYVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO3/c1-9-4-5-10(6-12(9)14)15-7-11-8-16-13(2,3)17-11/h4-6,11H,7-8H2,1-3H3.
What are the key properties of 4-[(3-fluoro-4-methylphenoxy)methyl]-2,2-dimethyl-1,3-dioxolane?
4-[(3-fluoro-4-methylphenoxy)methyl]-2,2-dimethyl-1,3-dioxolane has a molecular weight of 240.27 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoro-4-methylphenoxy)methyl]-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 23377291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).