2-(1,3-dioxolan-2-yl)-1-(3-fluorophenyl)ethanol

C11H13FO3 — CID 103547362

IUPAC2-(1,3-dioxolan-2-yl)-1-(3-fluorophenyl)ethanol
SMILESOC(CC1OCCO1)c1cccc(F)c1
InChIInChI=1S/C11H13FO3/c12-9-3-1-2-8(6-9)10(13)7-11-14-4-5-15-11/h1-3,6,10-11,13H,4-5,7H2
InChIKeyDVJKTBAWTZSZLO-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.62
Rot. Bonds3

About 2-(1,3-dioxolan-2-yl)-1-(3-fluorophenyl)ethanol

2-(1,3-dioxolan-2-yl)-1-(3-fluorophenyl)ethanol (PubChem CID 103547362) has the molecular formula C11H13FO3 and a molecular weight of 212.22 g/mol. Its IUPAC name is 2-(1,3-dioxolan-2-yl)-1-(3-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(1,3-dioxolan-2-yl)-1-(3-fluorophenyl)ethanol
PubChem CID103547362
Molecular FormulaC11H13FO3
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Name2-(1,3-dioxolan-2-yl)-1-(3-fluorophenyl)ethanol
SMILESOC(CC1OCCO1)c1cccc(F)c1
InChIInChI=1S/C11H13FO3/c12-9-3-1-2-8(6-9)10(13)7-11-14-4-5-15-11/h1-3,6,10-11,13H,4-5,7H2
InChIKeyDVJKTBAWTZSZLO-UHFFFAOYSA-N
XLogP1.62
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Benzaldehyde propylene glycol acetal
CID 595928
1,3-Dioxan-5-ol, 2-phenyl-
CID 74362
2-(Phenylmethyl)-1,3-dioxolane-4-methanol
CID 21895
1,3-Dioxolane-4-methanol, 2-phenyl-
CID 15572
1,3-Dioxolane, 2-methyl-4-phenyl-
CID 118119
Benzenemethanol, alpha-(ethoxymethyl)-
CID 90768
1,3-Dioxolane-4-methanol, 2-methyl-2-phenyl-
CID 20371
2-(Phenylmethyl)-1,3-dioxan-5-ol
CID 78476
4-Phenyl-1,3-dioxolane
CID 70634
Benzyl beta-D-ribofuranoside
CID 11149145
1,3-Dioxolane, 4,5-dimethyl-2-phenyl-
CID 221639
1,3-Dioxolane-4,5-dimethanol, 2-phenyl-, (4R,5R)-
CID 719729

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxolan-2-yl)-1-(3-fluorophenyl)ethanol?
The IUPAC name of 2-(1,3-dioxolan-2-yl)-1-(3-fluorophenyl)ethanol (CID 103547362) is 2-(1,3-dioxolan-2-yl)-1-(3-fluorophenyl)ethanol.
What is the SMILES notation for 2-(1,3-dioxolan-2-yl)-1-(3-fluorophenyl)ethanol?
The canonical SMILES for 2-(1,3-dioxolan-2-yl)-1-(3-fluorophenyl)ethanol is OC(CC1OCCO1)c1cccc(F)c1.
What is the InChIKey of 2-(1,3-dioxolan-2-yl)-1-(3-fluorophenyl)ethanol?
The InChIKey is DVJKTBAWTZSZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO3/c12-9-3-1-2-8(6-9)10(13)7-11-14-4-5-15-11/h1-3,6,10-11,13H,4-5,7H2.
What are the key properties of 2-(1,3-dioxolan-2-yl)-1-(3-fluorophenyl)ethanol?
2-(1,3-dioxolan-2-yl)-1-(3-fluorophenyl)ethanol has a molecular weight of 212.22 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxolan-2-yl)-1-(3-fluorophenyl)ethanol is sourced from PubChem (CID 103547362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).