2-(4-tert-butylphenoxy)-3-(3,5-dichlorophenyl)propanoic acid

C19H20Cl2O3 — CID 133245667

IUPAC2-(4-tert-butylphenoxy)-3-(3,5-dichlorophenyl)propanoic acid
SMILESCC(C)(C)c1ccc(OC(Cc2cc(Cl)cc(Cl)c2)C(=O)O)cc1
InChIInChI=1S/C19H20Cl2O3/c1-19(2,3)13-4-6-16(7-5-13)24-17(18(22)23)10-12-8-14(20)11-15(21)9-12/h4-9,11,17H,10H2,1-3H3,(H,22,23)
InChIKeyGQBUNLPXAQHZES-UHFFFAOYSA-N
MW367.27 g/mol
LogP5.37
Rot. Bonds5

About 2-(4-tert-butylphenoxy)-3-(3,5-dichlorophenyl)propanoic acid

2-(4-tert-butylphenoxy)-3-(3,5-dichlorophenyl)propanoic acid (PubChem CID 133245667) has the molecular formula C19H20Cl2O3 and a molecular weight of 367.27 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-3-(3,5-dichlorophenyl)propanoic acid.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-3-(3,5-dichlorophenyl)propanoic acid
PubChem CID133245667
Molecular FormulaC19H20Cl2O3
Molecular Weight367.27 g/mol
Exact Mass366.08
IUPAC Name2-(4-tert-butylphenoxy)-3-(3,5-dichlorophenyl)propanoic acid
SMILESCC(C)(C)c1ccc(OC(Cc2cc(Cl)cc(Cl)c2)C(=O)O)cc1
InChIInChI=1S/C19H20Cl2O3/c1-19(2,3)13-4-6-16(7-5-13)24-17(18(22)23)10-12-8-14(20)11-15(21)9-12/h4-9,11,17H,10H2,1-3H3,(H,22,23)
InChIKeyGQBUNLPXAQHZES-UHFFFAOYSA-N
XLogP5.37
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.27
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-tert-butylphenoxy)-3-(3,5-dichlorophenyl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(4-tert-butylphenoxy)-3-(3-chloro-4-methoxyphenyl)propanoic acid
CID 100547766
(2R)-2-(4-tert-butylphenoxy)-3-(4-iodophenyl)propanoic acid
CID 100535777
(2R)-3-(3,5-dichlorophenyl)-2-(3,5-dimethylphenoxy)propanoic acid
CID 100540705
(2R)-2-(4-tert-butylphenoxy)-3-(4-ethoxyphenyl)propanoic acid
CID 100544242
(2R)-3-(3,5-dichlorophenyl)-2-(3-methylphenoxy)propanoic acid
CID 100540560
(2R)-2-(4-tert-butylphenoxy)-3-(2-chlorophenyl)propanoic acid
CID 100533231
(2S)-2-(4-tert-butylphenoxy)-3-(2-chlorophenyl)propanoic acid
CID 100533221
(2R)-2-(4-tert-butylphenoxy)-3-(5-chloro-2-phenoxyphenyl)propanoic acid
CID 100550157
(2S)-3-(3-chlorophenyl)-2-(4-methoxyphenoxy)propanoic acid
CID 100533934
(2R)-2-(4-tert-butylphenoxy)-3-(2-ethylphenyl)propanoic acid
CID 100529756
(2S)-2-(4-tert-butylphenoxy)-3-(2,5-dimethoxyphenyl)propanoic acid
CID 100545980
(2R)-2-(4-chlorophenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 100541246

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-3-(3,5-dichlorophenyl)propanoic acid?
The IUPAC name of 2-(4-tert-butylphenoxy)-3-(3,5-dichlorophenyl)propanoic acid (CID 133245667) is 2-(4-tert-butylphenoxy)-3-(3,5-dichlorophenyl)propanoic acid.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-3-(3,5-dichlorophenyl)propanoic acid?
The canonical SMILES for 2-(4-tert-butylphenoxy)-3-(3,5-dichlorophenyl)propanoic acid is CC(C)(C)c1ccc(OC(Cc2cc(Cl)cc(Cl)c2)C(=O)O)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-3-(3,5-dichlorophenyl)propanoic acid?
The InChIKey is GQBUNLPXAQHZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2O3/c1-19(2,3)13-4-6-16(7-5-13)24-17(18(22)23)10-12-8-14(20)11-15(21)9-12/h4-9,11,17H,10H2,1-3H3,(H,22,23).
What are the key properties of 2-(4-tert-butylphenoxy)-3-(3,5-dichlorophenyl)propanoic acid?
2-(4-tert-butylphenoxy)-3-(3,5-dichlorophenyl)propanoic acid has a molecular weight of 367.27 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-3-(3,5-dichlorophenyl)propanoic acid is sourced from PubChem (CID 133245667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).