methyl 2-[4-(4-chlorophenoxy)phenyl]-2-phenoxyacetate

C21H17ClO4 — CID 12531844

IUPACmethyl 2-[4-(4-chlorophenoxy)phenyl]-2-phenoxyacetate
SMILESCOC(=O)C(Oc1ccccc1)c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H17ClO4/c1-24-21(23)20(26-17-5-3-2-4-6-17)15-7-11-18(12-8-15)25-19-13-9-16(22)10-14-19/h2-14,20H,1H3
InChIKeyMUCSGWPEMYOACE-UHFFFAOYSA-N
MW368.82 g/mol
LogP5.43
Rot. Bonds6

About methyl 2-[4-(4-chlorophenoxy)phenyl]-2-phenoxyacetate

methyl 2-[4-(4-chlorophenoxy)phenyl]-2-phenoxyacetate (PubChem CID 12531844) has the molecular formula C21H17ClO4 and a molecular weight of 368.82 g/mol. Its IUPAC name is methyl 2-[4-(4-chlorophenoxy)phenyl]-2-phenoxyacetate.

Molecular Properties

Compound Namemethyl 2-[4-(4-chlorophenoxy)phenyl]-2-phenoxyacetate
PubChem CID12531844
Molecular FormulaC21H17ClO4
Molecular Weight368.82 g/mol
Exact Mass368.08
IUPAC Namemethyl 2-[4-(4-chlorophenoxy)phenyl]-2-phenoxyacetate
SMILESCOC(=O)C(Oc1ccccc1)c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H17ClO4/c1-24-21(23)20(26-17-5-3-2-4-6-17)15-7-11-18(12-8-15)25-19-13-9-16(22)10-14-19/h2-14,20H,1H3
InChIKeyMUCSGWPEMYOACE-UHFFFAOYSA-N
XLogP5.43
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.82
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Fenofibrate
CID 3339
Beclobrate
CID 51348
(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid
CID 11460087
(S)-3-[4-(3,3-Diphenyl-allyloxy)-phenyl]-2-ethoxy-propionic acid
CID 44321440
(S)-3-{4-[3,3-Bis-(4-methoxy-phenyl)-allyloxy]-phenyl}-2-ethoxy-propionic acid
CID 44321463
SD-43775
CID 48080
Fenirofibrate
CID 68715
(r)-3-{4-[3-(4-Chloro-2-phenoxy-phenoxy)-butoxy]-2-fluoro-phenyl}-propionic acid
CID 16085987
Ethyl 2-(4-(4-chlorobenzoyl)phenoxy)-2-methylpropanoate
CID 3038934
Butyric acid, 2-(4-(4-chlorobenzyl)phenoxy)-2-methyl-, methyl ester, (+-)-
CID 51344
2-(4-Chlorophenoxy)-3-phenylpropanoic acid
CID 10356116
2-(4-(4-Chlorophenyl)oxy)-2-phenylacetic acid
CID 3082950

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(4-chlorophenoxy)phenyl]-2-phenoxyacetate?
The IUPAC name of methyl 2-[4-(4-chlorophenoxy)phenyl]-2-phenoxyacetate (CID 12531844) is methyl 2-[4-(4-chlorophenoxy)phenyl]-2-phenoxyacetate.
What is the SMILES notation for methyl 2-[4-(4-chlorophenoxy)phenyl]-2-phenoxyacetate?
The canonical SMILES for methyl 2-[4-(4-chlorophenoxy)phenyl]-2-phenoxyacetate is COC(=O)C(Oc1ccccc1)c1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of methyl 2-[4-(4-chlorophenoxy)phenyl]-2-phenoxyacetate?
The InChIKey is MUCSGWPEMYOACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClO4/c1-24-21(23)20(26-17-5-3-2-4-6-17)15-7-11-18(12-8-15)25-19-13-9-16(22)10-14-19/h2-14,20H,1H3.
What are the key properties of methyl 2-[4-(4-chlorophenoxy)phenyl]-2-phenoxyacetate?
methyl 2-[4-(4-chlorophenoxy)phenyl]-2-phenoxyacetate has a molecular weight of 368.82 g/mol, XLogP of 5.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(4-chlorophenoxy)phenyl]-2-phenoxyacetate is sourced from PubChem (CID 12531844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).