2-[2-[(3-fluorophenyl)methyl]-1,3-dioxolan-4-yl]ethanol

C12H15FO3 — CID 117169456

IUPAC2-[2-[(3-fluorophenyl)methyl]-1,3-dioxolan-4-yl]ethanol
SMILESOCCC1COC(Cc2cccc(F)c2)O1
InChIInChI=1S/C12H15FO3/c13-10-3-1-2-9(6-10)7-12-15-8-11(16-12)4-5-14/h1-3,6,11-12,14H,4-5,7-8H2
InChIKeyRWKKXDPQQIXHKH-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.49
Rot. Bonds4

About 2-[2-[(3-fluorophenyl)methyl]-1,3-dioxolan-4-yl]ethanol

2-[2-[(3-fluorophenyl)methyl]-1,3-dioxolan-4-yl]ethanol (PubChem CID 117169456) has the molecular formula C12H15FO3 and a molecular weight of 226.25 g/mol. Its IUPAC name is 2-[2-[(3-fluorophenyl)methyl]-1,3-dioxolan-4-yl]ethanol.

Molecular Properties

Compound Name2-[2-[(3-fluorophenyl)methyl]-1,3-dioxolan-4-yl]ethanol
PubChem CID117169456
Molecular FormulaC12H15FO3
Molecular Weight226.25 g/mol
Exact Mass226.10
IUPAC Name2-[2-[(3-fluorophenyl)methyl]-1,3-dioxolan-4-yl]ethanol
SMILESOCCC1COC(Cc2cccc(F)c2)O1
InChIInChI=1S/C12H15FO3/c13-10-3-1-2-9(6-10)7-12-15-8-11(16-12)4-5-14/h1-3,6,11-12,14H,4-5,7-8H2
InChIKeyRWKKXDPQQIXHKH-UHFFFAOYSA-N
XLogP1.49
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-fluorophenyl)methyl]-1,3-dioxolan-4-yl]ethanol?
The IUPAC name of 2-[2-[(3-fluorophenyl)methyl]-1,3-dioxolan-4-yl]ethanol (CID 117169456) is 2-[2-[(3-fluorophenyl)methyl]-1,3-dioxolan-4-yl]ethanol.
What is the SMILES notation for 2-[2-[(3-fluorophenyl)methyl]-1,3-dioxolan-4-yl]ethanol?
The canonical SMILES for 2-[2-[(3-fluorophenyl)methyl]-1,3-dioxolan-4-yl]ethanol is OCCC1COC(Cc2cccc(F)c2)O1.
What is the InChIKey of 2-[2-[(3-fluorophenyl)methyl]-1,3-dioxolan-4-yl]ethanol?
The InChIKey is RWKKXDPQQIXHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO3/c13-10-3-1-2-9(6-10)7-12-15-8-11(16-12)4-5-14/h1-3,6,11-12,14H,4-5,7-8H2.
What are the key properties of 2-[2-[(3-fluorophenyl)methyl]-1,3-dioxolan-4-yl]ethanol?
2-[2-[(3-fluorophenyl)methyl]-1,3-dioxolan-4-yl]ethanol has a molecular weight of 226.25 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-fluorophenyl)methyl]-1,3-dioxolan-4-yl]ethanol is sourced from PubChem (CID 117169456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).