2-(2,6-dichloro-4-propanoylphenoxy)-2-phenylacetic acid

C17H14Cl2O4 — CID 11772573

IUPAC2-(2,6-dichloro-4-propanoylphenoxy)-2-phenylacetic acid
SMILESCCC(=O)c1cc(Cl)c(OC(C(=O)O)c2ccccc2)c(Cl)c1
InChIInChI=1S/C17H14Cl2O4/c1-2-14(20)11-8-12(18)16(13(19)9-11)23-15(17(21)22)10-6-4-3-5-7-10/h3-9,15H,2H2,1H3,(H,21,22)
InChIKeyKKRZIQSSHRSOKO-UHFFFAOYSA-N
MW353.20 g/mol
LogP4.79
Rot. Bonds6

About 2-(2,6-dichloro-4-propanoylphenoxy)-2-phenylacetic acid

2-(2,6-dichloro-4-propanoylphenoxy)-2-phenylacetic acid (PubChem CID 11772573) has the molecular formula C17H14Cl2O4 and a molecular weight of 353.20 g/mol. Its IUPAC name is 2-(2,6-dichloro-4-propanoylphenoxy)-2-phenylacetic acid.

Molecular Properties

Compound Name2-(2,6-dichloro-4-propanoylphenoxy)-2-phenylacetic acid
PubChem CID11772573
Molecular FormulaC17H14Cl2O4
Molecular Weight353.20 g/mol
Exact Mass352.03
IUPAC Name2-(2,6-dichloro-4-propanoylphenoxy)-2-phenylacetic acid
SMILESCCC(=O)c1cc(Cl)c(OC(C(=O)O)c2ccccc2)c(Cl)c1
InChIInChI=1S/C17H14Cl2O4/c1-2-14(20)11-8-12(18)16(13(19)9-11)23-15(17(21)22)10-6-4-3-5-7-10/h3-9,15H,2H2,1H3,(H,21,22)
InChIKeyKKRZIQSSHRSOKO-UHFFFAOYSA-N
XLogP4.79
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.20
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 3278
Fenofibrate
CID 3339
Fenofibric Acid
CID 64929
Sodium Ethacrynate
CID 23668825
Methyl 2-(4-(4-chlorobenzoyl)phenoxy)-2-methylpropanoate
CID 3038933
Acetic acid, [2,3-dichloro-4-(2-methylene-1-oxobutyl)phenoxy]-, methyl ester
CID 621564
2-(2,3-Dichloro-4-(1-oxobutyl)phenoxy)acetic acid
CID 71036
[4-[3-(3,4-Dichlorophenyl)-1-oxo-2-propenyl]phenoxy]-acetic acid
CID 7067864
Dihydroethacrynate
CID 165310
(S)-3-{4-[3-(4-Benzoyl-phenoxy)-propoxy]-3-chloro-phenyl}-2-methoxy-propionic acid
CID 44392315
Methyl 4-(3-chlorobenzyloxy)-3-chlorobenzoate
CID 44570905
Benzoic acid, 4-(allyloxy)-3,5-dichloro-
CID 38951

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloro-4-propanoylphenoxy)-2-phenylacetic acid?
The IUPAC name of 2-(2,6-dichloro-4-propanoylphenoxy)-2-phenylacetic acid (CID 11772573) is 2-(2,6-dichloro-4-propanoylphenoxy)-2-phenylacetic acid.
What is the SMILES notation for 2-(2,6-dichloro-4-propanoylphenoxy)-2-phenylacetic acid?
The canonical SMILES for 2-(2,6-dichloro-4-propanoylphenoxy)-2-phenylacetic acid is CCC(=O)c1cc(Cl)c(OC(C(=O)O)c2ccccc2)c(Cl)c1.
What is the InChIKey of 2-(2,6-dichloro-4-propanoylphenoxy)-2-phenylacetic acid?
The InChIKey is KKRZIQSSHRSOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2O4/c1-2-14(20)11-8-12(18)16(13(19)9-11)23-15(17(21)22)10-6-4-3-5-7-10/h3-9,15H,2H2,1H3,(H,21,22).
What are the key properties of 2-(2,6-dichloro-4-propanoylphenoxy)-2-phenylacetic acid?
2-(2,6-dichloro-4-propanoylphenoxy)-2-phenylacetic acid has a molecular weight of 353.20 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloro-4-propanoylphenoxy)-2-phenylacetic acid is sourced from PubChem (CID 11772573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).