2-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]-1-phenylpropan-1-one

C18H17FO3 — CID 138968516

IUPAC2-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]-1-phenylpropan-1-one
SMILESCC(C(=O)c1ccccc1)c1ccc(F)cc1C1OCCO1
InChIInChI=1S/C18H17FO3/c1-12(17(20)13-5-3-2-4-6-13)15-8-7-14(19)11-16(15)18-21-9-10-22-18/h2-8,11-12,18H,9-10H2,1H3
InChIKeyXUTQFDJGMQDNLW-UHFFFAOYSA-N
MW300.33 g/mol
LogP3.86
Rot. Bonds4

About 2-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]-1-phenylpropan-1-one

2-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]-1-phenylpropan-1-one (PubChem CID 138968516) has the molecular formula C18H17FO3 and a molecular weight of 300.33 g/mol. Its IUPAC name is 2-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]-1-phenylpropan-1-one.

Molecular Properties

Compound Name2-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]-1-phenylpropan-1-one
PubChem CID138968516
Molecular FormulaC18H17FO3
Molecular Weight300.33 g/mol
Exact Mass300.12
IUPAC Name2-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]-1-phenylpropan-1-one
SMILESCC(C(=O)c1ccccc1)c1ccc(F)cc1C1OCCO1
InChIInChI=1S/C18H17FO3/c1-12(17(20)13-5-3-2-4-6-13)15-8-7-14(19)11-16(15)18-21-9-10-22-18/h2-8,11-12,18H,9-10H2,1H3
InChIKeyXUTQFDJGMQDNLW-UHFFFAOYSA-N
XLogP3.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]-1-phenylpropan-1-one?
The IUPAC name of 2-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]-1-phenylpropan-1-one (CID 138968516) is 2-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]-1-phenylpropan-1-one.
What is the SMILES notation for 2-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]-1-phenylpropan-1-one?
The canonical SMILES for 2-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]-1-phenylpropan-1-one is CC(C(=O)c1ccccc1)c1ccc(F)cc1C1OCCO1.
What is the InChIKey of 2-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]-1-phenylpropan-1-one?
The InChIKey is XUTQFDJGMQDNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FO3/c1-12(17(20)13-5-3-2-4-6-13)15-8-7-14(19)11-16(15)18-21-9-10-22-18/h2-8,11-12,18H,9-10H2,1H3.
What are the key properties of 2-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]-1-phenylpropan-1-one?
2-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]-1-phenylpropan-1-one has a molecular weight of 300.33 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]-1-phenylpropan-1-one is sourced from PubChem (CID 138968516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).