4-[(E)-2-(4-fluorophenyl)ethenyl]oxolan-2-ol

C12H13FO2 — CID 134965140

IUPAC4-[(E)-2-(4-fluorophenyl)ethenyl]oxolan-2-ol
SMILESOC1CC(/C=C/c2ccc(F)cc2)CO1
InChIInChI=1S/C12H13FO2/c13-11-5-3-9(4-6-11)1-2-10-7-12(14)15-8-10/h1-6,10,12,14H,7-8H2/b2-1+
InChIKeyKYSMYXSPVQJLEQ-OWOJBTEDSA-N
MW208.23 g/mol
LogP2.19
Rot. Bonds2

About 4-[(E)-2-(4-fluorophenyl)ethenyl]oxolan-2-ol

4-[(E)-2-(4-fluorophenyl)ethenyl]oxolan-2-ol (PubChem CID 134965140) has the molecular formula C12H13FO2 and a molecular weight of 208.23 g/mol. Its IUPAC name is 4-[(E)-2-(4-fluorophenyl)ethenyl]oxolan-2-ol.

Molecular Properties

Compound Name4-[(E)-2-(4-fluorophenyl)ethenyl]oxolan-2-ol
PubChem CID134965140
Molecular FormulaC12H13FO2
Molecular Weight208.23 g/mol
Exact Mass208.09
IUPAC Name4-[(E)-2-(4-fluorophenyl)ethenyl]oxolan-2-ol
SMILESOC1CC(/C=C/c2ccc(F)cc2)CO1
InChIInChI=1S/C12H13FO2/c13-11-5-3-9(4-6-11)1-2-10-7-12(14)15-8-10/h1-6,10,12,14H,7-8H2/b2-1+
InChIKeyKYSMYXSPVQJLEQ-OWOJBTEDSA-N
XLogP2.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-[(E)-2-(4-fluorophenyl)ethenyl]oxolan-2-ol
CID 25104829
4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxolan-2-ol
CID 60149523
2-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-1,3-dioxolane
CID 135033288
(2S)-2-[2-(4-fluorophenyl)ethoxy]oxolane
CID 155932571
3-Phenyltetrahydrofuran-2-ol
CID 12218401
2-(2-Fluorophenyl)-1-methoxyethanol
CID 69701620
2-(3-Fluorophenyl)-1-methoxyethanol
CID 69702844
2-(4-Fluorophenyl)-1-methoxyethanol
CID 69703450
3-(2-Fluorophenyl)-4-(1-hydroxyethoxy)butan-1-ol
CID 123743438
4-Phenyl-3-(3,3,3-trifluoropropyl)oxolan-2-ol
CID 123795708
3-[2-Fluoro-4-(trifluoromethyl)phenyl]oxolan-2-ol
CID 126744412
1-Ethoxy-2-(2-fluoro-4-phosphanylphenyl)ethanol
CID 130293296

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-fluorophenyl)ethenyl]oxolan-2-ol?
The IUPAC name of 4-[(E)-2-(4-fluorophenyl)ethenyl]oxolan-2-ol (CID 134965140) is 4-[(E)-2-(4-fluorophenyl)ethenyl]oxolan-2-ol.
What is the SMILES notation for 4-[(E)-2-(4-fluorophenyl)ethenyl]oxolan-2-ol?
The canonical SMILES for 4-[(E)-2-(4-fluorophenyl)ethenyl]oxolan-2-ol is OC1CC(/C=C/c2ccc(F)cc2)CO1.
What is the InChIKey of 4-[(E)-2-(4-fluorophenyl)ethenyl]oxolan-2-ol?
The InChIKey is KYSMYXSPVQJLEQ-OWOJBTEDSA-N. The full InChI is InChI=1S/C12H13FO2/c13-11-5-3-9(4-6-11)1-2-10-7-12(14)15-8-10/h1-6,10,12,14H,7-8H2/b2-1+.
What are the key properties of 4-[(E)-2-(4-fluorophenyl)ethenyl]oxolan-2-ol?
4-[(E)-2-(4-fluorophenyl)ethenyl]oxolan-2-ol has a molecular weight of 208.23 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-fluorophenyl)ethenyl]oxolan-2-ol is sourced from PubChem (CID 134965140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).