3-(4-chlorophenyl)-2-methyl-2-(4-phenoxyphenoxy)propanoic acid

C22H19ClO4 — CID 10619958

IUPAC3-(4-chlorophenyl)-2-methyl-2-(4-phenoxyphenoxy)propanoic acid
SMILESCC(Cc1ccc(Cl)cc1)(Oc1ccc(Oc2ccccc2)cc1)C(=O)O
InChIInChI=1S/C22H19ClO4/c1-22(21(24)25,15-16-7-9-17(23)10-8-16)27-20-13-11-19(12-14-20)26-18-5-3-2-4-6-18/h2-14H,15H2,1H3,(H,24,25)
InChIKeyRGIPABCDYDVYTR-UHFFFAOYSA-N
MW382.84 g/mol
LogP5.60
Rot. Bonds7

About 3-(4-chlorophenyl)-2-methyl-2-(4-phenoxyphenoxy)propanoic acid

3-(4-chlorophenyl)-2-methyl-2-(4-phenoxyphenoxy)propanoic acid (PubChem CID 10619958) has the molecular formula C22H19ClO4 and a molecular weight of 382.84 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-methyl-2-(4-phenoxyphenoxy)propanoic acid.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-methyl-2-(4-phenoxyphenoxy)propanoic acid
PubChem CID10619958
Molecular FormulaC22H19ClO4
Molecular Weight382.84 g/mol
Exact Mass382.10
IUPAC Name3-(4-chlorophenyl)-2-methyl-2-(4-phenoxyphenoxy)propanoic acid
SMILESCC(Cc1ccc(Cl)cc1)(Oc1ccc(Oc2ccccc2)cc1)C(=O)O
InChIInChI=1S/C22H19ClO4/c1-22(21(24)25,15-16-7-9-17(23)10-8-16)27-20-13-11-19(12-14-20)26-18-5-3-2-4-6-18/h2-14H,15H2,1H3,(H,24,25)
InChIKeyRGIPABCDYDVYTR-UHFFFAOYSA-N
XLogP5.60
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.84
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethylphenyl)-2-methyl-2-(4-phenoxyphenoxy)propanoic acid
CID 10714560
2-(4-hydroxyphenoxy)-2-methyl-3-phenylpropanoic acid
CID 22261112
2-methyl-2-(4-propan-2-ylphenoxy)-3-(4-propan-2-ylphenyl)propanoic acid
CID 10688529
3-[4-(2-aminoethoxy)phenyl]-2-methyl-2-(4-propan-2-ylphenoxy)propanoic acid
CID 18626041
1-[4-(4-chlorophenoxy)phenyl]-3-phenylpropan-2-one
CID 157438044
4-[(4-chlorophenyl)methylsulfanyl]-2-(4-hydroxyphenoxy)-2-methylbutanoic acid
CID 70486056
3-[4-[2-amino-6-[4-[(4-methylphenyl)methyl]piperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-2-methyl-2-phenoxypropanoic acid
CID 59493248
5-benzamido-2-(4-chlorophenoxy)-2-methylpentanoic acid
CID 70276943
ethyl 3-(4-chlorophenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propanoate
CID 10713588
3-[4-(4-chlorophenoxy)phenoxy]-2,2-dimethylpropanoic acid
CID 146594283
3-[4-[2-amino-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-2-methyl-2-phenoxypropanoic acid
CID 59493245
2-[4-(4-chlorophenoxy)phenoxy]-2-phenylpropan-1-ol
CID 21408011

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-methyl-2-(4-phenoxyphenoxy)propanoic acid?
The IUPAC name of 3-(4-chlorophenyl)-2-methyl-2-(4-phenoxyphenoxy)propanoic acid (CID 10619958) is 3-(4-chlorophenyl)-2-methyl-2-(4-phenoxyphenoxy)propanoic acid.
What is the SMILES notation for 3-(4-chlorophenyl)-2-methyl-2-(4-phenoxyphenoxy)propanoic acid?
The canonical SMILES for 3-(4-chlorophenyl)-2-methyl-2-(4-phenoxyphenoxy)propanoic acid is CC(Cc1ccc(Cl)cc1)(Oc1ccc(Oc2ccccc2)cc1)C(=O)O.
What is the InChIKey of 3-(4-chlorophenyl)-2-methyl-2-(4-phenoxyphenoxy)propanoic acid?
The InChIKey is RGIPABCDYDVYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClO4/c1-22(21(24)25,15-16-7-9-17(23)10-8-16)27-20-13-11-19(12-14-20)26-18-5-3-2-4-6-18/h2-14H,15H2,1H3,(H,24,25).
What are the key properties of 3-(4-chlorophenyl)-2-methyl-2-(4-phenoxyphenoxy)propanoic acid?
3-(4-chlorophenyl)-2-methyl-2-(4-phenoxyphenoxy)propanoic acid has a molecular weight of 382.84 g/mol, XLogP of 5.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-methyl-2-(4-phenoxyphenoxy)propanoic acid is sourced from PubChem (CID 10619958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).