(4-fluorophenyl)methyl 2-methoxy-2,2-diphenylacetate

C22H19FO3 — CID 54408228

IUPAC(4-fluorophenyl)methyl 2-methoxy-2,2-diphenylacetate
SMILESCOC(C(=O)OCc1ccc(F)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19FO3/c1-25-22(18-8-4-2-5-9-18,19-10-6-3-7-11-19)21(24)26-16-17-12-14-20(23)15-13-17/h2-15H,16H2,1H3
InChIKeyVSGNKIALWNGVIP-UHFFFAOYSA-N
MW350.39 g/mol
LogP4.46
Rot. Bonds6

About (4-fluorophenyl)methyl 2-methoxy-2,2-diphenylacetate

(4-fluorophenyl)methyl 2-methoxy-2,2-diphenylacetate (PubChem CID 54408228) has the molecular formula C22H19FO3 and a molecular weight of 350.39 g/mol. Its IUPAC name is (4-fluorophenyl)methyl 2-methoxy-2,2-diphenylacetate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl 2-methoxy-2,2-diphenylacetate
PubChem CID54408228
Molecular FormulaC22H19FO3
Molecular Weight350.39 g/mol
Exact Mass350.13
IUPAC Name(4-fluorophenyl)methyl 2-methoxy-2,2-diphenylacetate
SMILESCOC(C(=O)OCc1ccc(F)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19FO3/c1-25-22(18-8-4-2-5-9-18,19-10-6-3-7-11-19)21(24)26-16-17-12-14-20(23)15-13-17/h2-15H,16H2,1H3
InChIKeyVSGNKIALWNGVIP-UHFFFAOYSA-N
XLogP4.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl 2-methoxy-2,2-diphenylacetate?
The IUPAC name of (4-fluorophenyl)methyl 2-methoxy-2,2-diphenylacetate (CID 54408228) is (4-fluorophenyl)methyl 2-methoxy-2,2-diphenylacetate.
What is the SMILES notation for (4-fluorophenyl)methyl 2-methoxy-2,2-diphenylacetate?
The canonical SMILES for (4-fluorophenyl)methyl 2-methoxy-2,2-diphenylacetate is COC(C(=O)OCc1ccc(F)cc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (4-fluorophenyl)methyl 2-methoxy-2,2-diphenylacetate?
The InChIKey is VSGNKIALWNGVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FO3/c1-25-22(18-8-4-2-5-9-18,19-10-6-3-7-11-19)21(24)26-16-17-12-14-20(23)15-13-17/h2-15H,16H2,1H3.
What are the key properties of (4-fluorophenyl)methyl 2-methoxy-2,2-diphenylacetate?
(4-fluorophenyl)methyl 2-methoxy-2,2-diphenylacetate has a molecular weight of 350.39 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl 2-methoxy-2,2-diphenylacetate is sourced from PubChem (CID 54408228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).