2-[5-[(4-fluorophenoxy)methyl]furan-3-yl]-2-methyl-1,3-dioxolane

C15H15FO4 — CID 90749847

IUPAC2-[5-[(4-fluorophenoxy)methyl]furan-3-yl]-2-methyl-1,3-dioxolane
SMILESCC1(c2coc(COc3ccc(F)cc3)c2)OCCO1
InChIInChI=1S/C15H15FO4/c1-15(19-6-7-20-15)11-8-14(17-9-11)10-18-13-4-2-12(16)3-5-13/h2-5,8-9H,6-7,10H2,1H3
InChIKeyBHEJUXIDKNYGSC-UHFFFAOYSA-N
MW278.28 g/mol
LogP3.22
Rot. Bonds4

About 2-[5-[(4-fluorophenoxy)methyl]furan-3-yl]-2-methyl-1,3-dioxolane

2-[5-[(4-fluorophenoxy)methyl]furan-3-yl]-2-methyl-1,3-dioxolane (PubChem CID 90749847) has the molecular formula C15H15FO4 and a molecular weight of 278.28 g/mol. Its IUPAC name is 2-[5-[(4-fluorophenoxy)methyl]furan-3-yl]-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-[5-[(4-fluorophenoxy)methyl]furan-3-yl]-2-methyl-1,3-dioxolane
PubChem CID90749847
Molecular FormulaC15H15FO4
Molecular Weight278.28 g/mol
Exact Mass278.10
IUPAC Name2-[5-[(4-fluorophenoxy)methyl]furan-3-yl]-2-methyl-1,3-dioxolane
SMILESCC1(c2coc(COc3ccc(F)cc3)c2)OCCO1
InChIInChI=1S/C15H15FO4/c1-15(19-6-7-20-15)11-8-14(17-9-11)10-18-13-4-2-12(16)3-5-13/h2-5,8-9H,6-7,10H2,1H3
InChIKeyBHEJUXIDKNYGSC-UHFFFAOYSA-N
XLogP3.22
TPSA40.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[5-[(4-fluorophenoxy)methyl]furan-3-yl]-2-methyl-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

2-(4-ethoxyphenyl)-2-methyl-1,3-dioxolane
CID 82126602
[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanamine
CID 62454470
2-(2-ethoxy-5-fluorophenyl)-2-methyl-1,3-dioxolane
CID 83959424
N-[[5-[(4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62453644
[5-[(4-methylsulfanylphenoxy)methyl]furan-3-yl]methanamine
CID 63648763
5-fluoro-3-[(4-methoxyphenoxy)methyl]-1-benzofuran
CID 117174312
2-[(4-fluorophenoxy)methyl]-4-methyl-1-benzofuran
CID 117184713
7-chloro-3-[(4-fluorophenoxy)methyl]-1-benzofuran
CID 117181095
8-[(4-fluorophenoxy)methyl]-1,4-dioxaspiro[4.5]decane
CID 58923764
4-fluoro-3-[(4-fluorophenoxy)methyl]-1-benzofuran
CID 117170411
4-[(4-fluorophenoxy)methyl]-3-methylphenol
CID 117219687
2-(2-fluoro-4-methoxyphenyl)-2-methyl-1,3-dioxolane
CID 22615139

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-fluorophenoxy)methyl]furan-3-yl]-2-methyl-1,3-dioxolane?
The IUPAC name of 2-[5-[(4-fluorophenoxy)methyl]furan-3-yl]-2-methyl-1,3-dioxolane (CID 90749847) is 2-[5-[(4-fluorophenoxy)methyl]furan-3-yl]-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-[5-[(4-fluorophenoxy)methyl]furan-3-yl]-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-[5-[(4-fluorophenoxy)methyl]furan-3-yl]-2-methyl-1,3-dioxolane is CC1(c2coc(COc3ccc(F)cc3)c2)OCCO1.
What is the InChIKey of 2-[5-[(4-fluorophenoxy)methyl]furan-3-yl]-2-methyl-1,3-dioxolane?
The InChIKey is BHEJUXIDKNYGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FO4/c1-15(19-6-7-20-15)11-8-14(17-9-11)10-18-13-4-2-12(16)3-5-13/h2-5,8-9H,6-7,10H2,1H3.
What are the key properties of 2-[5-[(4-fluorophenoxy)methyl]furan-3-yl]-2-methyl-1,3-dioxolane?
2-[5-[(4-fluorophenoxy)methyl]furan-3-yl]-2-methyl-1,3-dioxolane has a molecular weight of 278.28 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-fluorophenoxy)methyl]furan-3-yl]-2-methyl-1,3-dioxolane is sourced from PubChem (CID 90749847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).