(4-fluoro-3-phenoxyphenyl)methyl 2-(4-chlorophenyl)-2-cyclopropylacetate

C24H20ClFO3 — CID 54515227

IUPAC(4-fluoro-3-phenoxyphenyl)methyl 2-(4-chlorophenyl)-2-cyclopropylacetate
SMILESO=C(OCc1ccc(F)c(Oc2ccccc2)c1)C(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C24H20ClFO3/c25-19-11-9-18(10-12-19)23(17-7-8-17)24(27)28-15-16-6-13-21(26)22(14-16)29-20-4-2-1-3-5-20/h1-6,9-14,17,23H,7-8,15H2
InChIKeyYLYPDZQBBCSPIM-UHFFFAOYSA-N
MW410.87 g/mol
LogP6.51
Rot. Bonds7

About (4-fluoro-3-phenoxyphenyl)methyl 2-(4-chlorophenyl)-2-cyclopropylacetate

(4-fluoro-3-phenoxyphenyl)methyl 2-(4-chlorophenyl)-2-cyclopropylacetate (PubChem CID 54515227) has the molecular formula C24H20ClFO3 and a molecular weight of 410.87 g/mol. Its IUPAC name is (4-fluoro-3-phenoxyphenyl)methyl 2-(4-chlorophenyl)-2-cyclopropylacetate.

Molecular Properties

Compound Name(4-fluoro-3-phenoxyphenyl)methyl 2-(4-chlorophenyl)-2-cyclopropylacetate
PubChem CID54515227
Molecular FormulaC24H20ClFO3
Molecular Weight410.87 g/mol
Exact Mass410.11
IUPAC Name(4-fluoro-3-phenoxyphenyl)methyl 2-(4-chlorophenyl)-2-cyclopropylacetate
SMILESO=C(OCc1ccc(F)c(Oc2ccccc2)c1)C(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C24H20ClFO3/c25-19-11-9-18(10-12-19)23(17-7-8-17)24(27)28-15-16-6-13-21(26)22(14-16)29-20-4-2-1-3-5-20/h1-6,9-14,17,23H,7-8,15H2
InChIKeyYLYPDZQBBCSPIM-UHFFFAOYSA-N
XLogP6.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.87
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-phenoxyphenyl)methyl 2-(4-chlorophenyl)-2-cyclopropylacetate?
The IUPAC name of (4-fluoro-3-phenoxyphenyl)methyl 2-(4-chlorophenyl)-2-cyclopropylacetate (CID 54515227) is (4-fluoro-3-phenoxyphenyl)methyl 2-(4-chlorophenyl)-2-cyclopropylacetate.
What is the SMILES notation for (4-fluoro-3-phenoxyphenyl)methyl 2-(4-chlorophenyl)-2-cyclopropylacetate?
The canonical SMILES for (4-fluoro-3-phenoxyphenyl)methyl 2-(4-chlorophenyl)-2-cyclopropylacetate is O=C(OCc1ccc(F)c(Oc2ccccc2)c1)C(c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of (4-fluoro-3-phenoxyphenyl)methyl 2-(4-chlorophenyl)-2-cyclopropylacetate?
The InChIKey is YLYPDZQBBCSPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFO3/c25-19-11-9-18(10-12-19)23(17-7-8-17)24(27)28-15-16-6-13-21(26)22(14-16)29-20-4-2-1-3-5-20/h1-6,9-14,17,23H,7-8,15H2.
What are the key properties of (4-fluoro-3-phenoxyphenyl)methyl 2-(4-chlorophenyl)-2-cyclopropylacetate?
(4-fluoro-3-phenoxyphenyl)methyl 2-(4-chlorophenyl)-2-cyclopropylacetate has a molecular weight of 410.87 g/mol, XLogP of 6.51, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-phenoxyphenyl)methyl 2-(4-chlorophenyl)-2-cyclopropylacetate is sourced from PubChem (CID 54515227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).