2-[2-[4-[4-[2-(1,3-dioxolan-2-yl)ethyl]-3-fluorophenyl]phenyl]ethyl]-1,3-dioxolane

C22H25FO4 — CID 155139396

IUPAC2-[2-[4-[4-[2-(1,3-dioxolan-2-yl)ethyl]-3-fluorophenyl]phenyl]ethyl]-1,3-dioxolane
SMILESFc1cc(-c2ccc(CCC3OCCO3)cc2)ccc1CCC1OCCO1
InChIInChI=1S/C22H25FO4/c23-20-15-19(7-6-18(20)8-10-22-26-13-14-27-22)17-4-1-16(2-5-17)3-9-21-24-11-12-25-21/h1-2,4-7,15,21-22H,3,8-14H2
InChIKeyQUWHGPUKEGHMLS-UHFFFAOYSA-N
MW372.44 g/mol
LogP4.10
Rot. Bonds7

About 2-[2-[4-[4-[2-(1,3-dioxolan-2-yl)ethyl]-3-fluorophenyl]phenyl]ethyl]-1,3-dioxolane

2-[2-[4-[4-[2-(1,3-dioxolan-2-yl)ethyl]-3-fluorophenyl]phenyl]ethyl]-1,3-dioxolane (PubChem CID 155139396) has the molecular formula C22H25FO4 and a molecular weight of 372.44 g/mol. Its IUPAC name is 2-[2-[4-[4-[2-(1,3-dioxolan-2-yl)ethyl]-3-fluorophenyl]phenyl]ethyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[2-[4-[4-[2-(1,3-dioxolan-2-yl)ethyl]-3-fluorophenyl]phenyl]ethyl]-1,3-dioxolane
PubChem CID155139396
Molecular FormulaC22H25FO4
Molecular Weight372.44 g/mol
Exact Mass372.17
IUPAC Name2-[2-[4-[4-[2-(1,3-dioxolan-2-yl)ethyl]-3-fluorophenyl]phenyl]ethyl]-1,3-dioxolane
SMILESFc1cc(-c2ccc(CCC3OCCO3)cc2)ccc1CCC1OCCO1
InChIInChI=1S/C22H25FO4/c23-20-15-19(7-6-18(20)8-10-22-26-13-14-27-22)17-4-1-16(2-5-17)3-9-21-24-11-12-25-21/h1-2,4-7,15,21-22H,3,8-14H2
InChIKeyQUWHGPUKEGHMLS-UHFFFAOYSA-N
XLogP4.10
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[4-[2-(1,3-dioxolan-2-yl)ethyl]-3-fluorophenyl]phenyl]ethyl]-1,3-dioxolane?
The IUPAC name of 2-[2-[4-[4-[2-(1,3-dioxolan-2-yl)ethyl]-3-fluorophenyl]phenyl]ethyl]-1,3-dioxolane (CID 155139396) is 2-[2-[4-[4-[2-(1,3-dioxolan-2-yl)ethyl]-3-fluorophenyl]phenyl]ethyl]-1,3-dioxolane.
What is the SMILES notation for 2-[2-[4-[4-[2-(1,3-dioxolan-2-yl)ethyl]-3-fluorophenyl]phenyl]ethyl]-1,3-dioxolane?
The canonical SMILES for 2-[2-[4-[4-[2-(1,3-dioxolan-2-yl)ethyl]-3-fluorophenyl]phenyl]ethyl]-1,3-dioxolane is Fc1cc(-c2ccc(CCC3OCCO3)cc2)ccc1CCC1OCCO1.
What is the InChIKey of 2-[2-[4-[4-[2-(1,3-dioxolan-2-yl)ethyl]-3-fluorophenyl]phenyl]ethyl]-1,3-dioxolane?
The InChIKey is QUWHGPUKEGHMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FO4/c23-20-15-19(7-6-18(20)8-10-22-26-13-14-27-22)17-4-1-16(2-5-17)3-9-21-24-11-12-25-21/h1-2,4-7,15,21-22H,3,8-14H2.
What are the key properties of 2-[2-[4-[4-[2-(1,3-dioxolan-2-yl)ethyl]-3-fluorophenyl]phenyl]ethyl]-1,3-dioxolane?
2-[2-[4-[4-[2-(1,3-dioxolan-2-yl)ethyl]-3-fluorophenyl]phenyl]ethyl]-1,3-dioxolane has a molecular weight of 372.44 g/mol, XLogP of 4.10, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[4-[2-(1,3-dioxolan-2-yl)ethyl]-3-fluorophenyl]phenyl]ethyl]-1,3-dioxolane is sourced from PubChem (CID 155139396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).