4-[(2-fluorophenyl)-hydroxymethyl]-3-methylideneoxolan-2-one

C12H11FO3 — CID 102097876

IUPAC4-[(2-fluorophenyl)-hydroxymethyl]-3-methylideneoxolan-2-one
SMILESC=C1C(=O)OCC1C(O)c1ccccc1F
InChIInChI=1S/C12H11FO3/c1-7-9(6-16-12(7)15)11(14)8-4-2-3-5-10(8)13/h2-5,9,11,14H,1,6H2
InChIKeyMEOXOGMMIXENRP-UHFFFAOYSA-N
MW222.21 g/mol
LogP1.59
Rot. Bonds2

About 4-[(2-fluorophenyl)-hydroxymethyl]-3-methylideneoxolan-2-one

4-[(2-fluorophenyl)-hydroxymethyl]-3-methylideneoxolan-2-one (PubChem CID 102097876) has the molecular formula C12H11FO3 and a molecular weight of 222.21 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)-hydroxymethyl]-3-methylideneoxolan-2-one.

Molecular Properties

Compound Name4-[(2-fluorophenyl)-hydroxymethyl]-3-methylideneoxolan-2-one
PubChem CID102097876
Molecular FormulaC12H11FO3
Molecular Weight222.21 g/mol
Exact Mass222.07
IUPAC Name4-[(2-fluorophenyl)-hydroxymethyl]-3-methylideneoxolan-2-one
SMILESC=C1C(=O)OCC1C(O)c1ccccc1F
InChIInChI=1S/C12H11FO3/c1-7-9(6-16-12(7)15)11(14)8-4-2-3-5-10(8)13/h2-5,9,11,14H,1,6H2
InChIKeyMEOXOGMMIXENRP-UHFFFAOYSA-N
XLogP1.59
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(S)-(2-fluorophenyl)-hydroxymethyl]cyclohexan-1-one
CID 54752641
(4R)-4-[(R)-(3-chlorophenyl)-hydroxymethyl]-3-methylideneoxolan-2-one
CID 71665070
4-[[1-[(4-chlorophenyl)methyl]-5-fluoroindol-3-yl]-hydroxymethyl]-3-methylideneoxolan-2-one
CID 155532890
(2-fluorophenyl)-(oxolan-3-yl)methanol
CID 63565123
4-[[5-chloro-1-(pyridin-4-ylmethyl)indol-3-yl]-hydroxymethyl]-3-methylideneoxolan-2-one
CID 155566043
bis(2-fluorophenyl)methanol
CID 18424663
(S)-(5,5-dimethylpyrrolidin-2-yl)-(2-fluorophenyl)methanol
CID 155127118
(2-fluorophenyl)-(4-methylmorpholin-2-yl)methanol
CID 79087093
(2-fluorophenyl)-(2-methyloxolan-3-yl)methanol
CID 115781704
[(2S)-6,6-dimethylpiperidin-2-yl]-(2-fluorophenyl)methanol
CID 155126963
(4-ethylcyclohexyl)-(2-fluorophenyl)methanol
CID 64749746
2,3-dihydrofuran-5-yl-(2-fluorophenyl)methanol
CID 102650541

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)-hydroxymethyl]-3-methylideneoxolan-2-one?
The IUPAC name of 4-[(2-fluorophenyl)-hydroxymethyl]-3-methylideneoxolan-2-one (CID 102097876) is 4-[(2-fluorophenyl)-hydroxymethyl]-3-methylideneoxolan-2-one.
What is the SMILES notation for 4-[(2-fluorophenyl)-hydroxymethyl]-3-methylideneoxolan-2-one?
The canonical SMILES for 4-[(2-fluorophenyl)-hydroxymethyl]-3-methylideneoxolan-2-one is C=C1C(=O)OCC1C(O)c1ccccc1F.
What is the InChIKey of 4-[(2-fluorophenyl)-hydroxymethyl]-3-methylideneoxolan-2-one?
The InChIKey is MEOXOGMMIXENRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FO3/c1-7-9(6-16-12(7)15)11(14)8-4-2-3-5-10(8)13/h2-5,9,11,14H,1,6H2.
What are the key properties of 4-[(2-fluorophenyl)-hydroxymethyl]-3-methylideneoxolan-2-one?
4-[(2-fluorophenyl)-hydroxymethyl]-3-methylideneoxolan-2-one has a molecular weight of 222.21 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)-hydroxymethyl]-3-methylideneoxolan-2-one is sourced from PubChem (CID 102097876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).