(2S)-2-[2-(4-fluorophenyl)ethoxy]oxolane

C12H15FO2 — CID 155932571

IUPAC(2S)-2-[2-(4-fluorophenyl)ethoxy]oxolane
SMILESFc1ccc(CCO[C@H]2CCCO2)cc1
InChIInChI=1S/C12H15FO2/c13-11-5-3-10(4-6-11)7-9-15-12-2-1-8-14-12/h3-6,12H,1-2,7-9H2/t12-/m0/s1
InChIKeySXZWNOGABFYIHB-LBPRGKRZSA-N
MW210.25 g/mol
LogP2.52
Rot. Bonds4

About (2S)-2-[2-(4-fluorophenyl)ethoxy]oxolane

(2S)-2-[2-(4-fluorophenyl)ethoxy]oxolane (PubChem CID 155932571) has the molecular formula C12H15FO2 and a molecular weight of 210.25 g/mol. Its IUPAC name is (2S)-2-[2-(4-fluorophenyl)ethoxy]oxolane.

Molecular Properties

Compound Name(2S)-2-[2-(4-fluorophenyl)ethoxy]oxolane
PubChem CID155932571
Molecular FormulaC12H15FO2
Molecular Weight210.25 g/mol
Exact Mass210.11
IUPAC Name(2S)-2-[2-(4-fluorophenyl)ethoxy]oxolane
SMILESFc1ccc(CCO[C@H]2CCCO2)cc1
InChIInChI=1S/C12H15FO2/c13-11-5-3-10(4-6-11)7-9-15-12-2-1-8-14-12/h3-6,12H,1-2,7-9H2/t12-/m0/s1
InChIKeySXZWNOGABFYIHB-LBPRGKRZSA-N
XLogP2.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Phenyl acetaldehyde dimethyl acetal
CID 60995
Phenylacetaldehyde 2,3-butylene glycol acetal
CID 230525
Acetaldehyde phenethyl propyl acetal
CID 61403
Phenyl acetaldehyde diisobutyl acetal
CID 71544
Phenylacetaldehyde diethyl acetal
CID 80584
Acetaldehyde butyl phenethyl acetal
CID 62876
1,1-Bis(phenethyloxy)ethane
CID 101592
Benzene, (2-(1-ethoxyethoxy)ethyl)-
CID 102849
2-Phenylpropanal propylene glycol acetal
CID 236687
2-Benzyl-1,3-dioxolane
CID 7562
1,3-Dioxolane, 2-(1-phenylethyl)-
CID 97785
4-Methyl-2-(phenylmethyl)-1,3-dioxolane
CID 50936913

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(4-fluorophenyl)ethoxy]oxolane?
The IUPAC name of (2S)-2-[2-(4-fluorophenyl)ethoxy]oxolane (CID 155932571) is (2S)-2-[2-(4-fluorophenyl)ethoxy]oxolane.
What is the SMILES notation for (2S)-2-[2-(4-fluorophenyl)ethoxy]oxolane?
The canonical SMILES for (2S)-2-[2-(4-fluorophenyl)ethoxy]oxolane is Fc1ccc(CCO[C@H]2CCCO2)cc1.
What is the InChIKey of (2S)-2-[2-(4-fluorophenyl)ethoxy]oxolane?
The InChIKey is SXZWNOGABFYIHB-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H15FO2/c13-11-5-3-10(4-6-11)7-9-15-12-2-1-8-14-12/h3-6,12H,1-2,7-9H2/t12-/m0/s1.
What are the key properties of (2S)-2-[2-(4-fluorophenyl)ethoxy]oxolane?
(2S)-2-[2-(4-fluorophenyl)ethoxy]oxolane has a molecular weight of 210.25 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(4-fluorophenyl)ethoxy]oxolane is sourced from PubChem (CID 155932571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).