3-(5-chloro-2-propan-2-yloxyphenyl)-2-(4-ethylphenyl)propanoic acid

C20H23ClO3 — CID 112720998

IUPAC3-(5-chloro-2-propan-2-yloxyphenyl)-2-(4-ethylphenyl)propanoic acid
SMILESCCc1ccc(C(Cc2cc(Cl)ccc2OC(C)C)C(=O)O)cc1
InChIInChI=1S/C20H23ClO3/c1-4-14-5-7-15(8-6-14)18(20(22)23)12-16-11-17(21)9-10-19(16)24-13(2)3/h5-11,13,18H,4,12H2,1-3H3,(H,22,23)
InChIKeyQIVHUPGDXDHZON-UHFFFAOYSA-N
MW346.85 g/mol
LogP5.10
Rot. Bonds7

About 3-(5-chloro-2-propan-2-yloxyphenyl)-2-(4-ethylphenyl)propanoic acid

3-(5-chloro-2-propan-2-yloxyphenyl)-2-(4-ethylphenyl)propanoic acid (PubChem CID 112720998) has the molecular formula C20H23ClO3 and a molecular weight of 346.85 g/mol. Its IUPAC name is 3-(5-chloro-2-propan-2-yloxyphenyl)-2-(4-ethylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(5-chloro-2-propan-2-yloxyphenyl)-2-(4-ethylphenyl)propanoic acid
PubChem CID112720998
Molecular FormulaC20H23ClO3
Molecular Weight346.85 g/mol
Exact Mass346.13
IUPAC Name3-(5-chloro-2-propan-2-yloxyphenyl)-2-(4-ethylphenyl)propanoic acid
SMILESCCc1ccc(C(Cc2cc(Cl)ccc2OC(C)C)C(=O)O)cc1
InChIInChI=1S/C20H23ClO3/c1-4-14-5-7-15(8-6-14)18(20(22)23)12-16-11-17(21)9-10-19(16)24-13(2)3/h5-11,13,18H,4,12H2,1-3H3,(H,22,23)
InChIKeyQIVHUPGDXDHZON-UHFFFAOYSA-N
XLogP5.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.85
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenyl)propanoic acid
CID 82141717
3-(5-chloro-2-propoxyphenyl)-2-(4-methylphenyl)propanoic acid
CID 83953981
2-(4-chlorophenyl)-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 82160569
3-(2,4-diethoxyphenyl)-2-(4-ethylphenyl)propanoic acid
CID 83952981
3-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpropanoic acid
CID 83549965
3-(3-chloro-4-hydroxyphenyl)-2-(4-ethylphenyl)propanoic acid
CID 83952274
2-(4-aminophenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)propanoic acid
CID 83952018
3-(3-ethoxy-4-methoxyphenyl)-2-(4-ethylphenyl)propanoic acid
CID 83951268
3-(2,4-dichlorophenyl)-2-(4-methylphenyl)propanoic acid
CID 79436659
2-(4-ethylphenyl)-3-(4-methylphenyl)propanoic acid
CID 82092601
3-(4-ethylphenyl)-2-(4-hydroxyphenyl)propanoic acid
CID 83953187
2-(4-ethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)propanoic acid
CID 83955211

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-propan-2-yloxyphenyl)-2-(4-ethylphenyl)propanoic acid?
The IUPAC name of 3-(5-chloro-2-propan-2-yloxyphenyl)-2-(4-ethylphenyl)propanoic acid (CID 112720998) is 3-(5-chloro-2-propan-2-yloxyphenyl)-2-(4-ethylphenyl)propanoic acid.
What is the SMILES notation for 3-(5-chloro-2-propan-2-yloxyphenyl)-2-(4-ethylphenyl)propanoic acid?
The canonical SMILES for 3-(5-chloro-2-propan-2-yloxyphenyl)-2-(4-ethylphenyl)propanoic acid is CCc1ccc(C(Cc2cc(Cl)ccc2OC(C)C)C(=O)O)cc1.
What is the InChIKey of 3-(5-chloro-2-propan-2-yloxyphenyl)-2-(4-ethylphenyl)propanoic acid?
The InChIKey is QIVHUPGDXDHZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClO3/c1-4-14-5-7-15(8-6-14)18(20(22)23)12-16-11-17(21)9-10-19(16)24-13(2)3/h5-11,13,18H,4,12H2,1-3H3,(H,22,23).
What are the key properties of 3-(5-chloro-2-propan-2-yloxyphenyl)-2-(4-ethylphenyl)propanoic acid?
3-(5-chloro-2-propan-2-yloxyphenyl)-2-(4-ethylphenyl)propanoic acid has a molecular weight of 346.85 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-propan-2-yloxyphenyl)-2-(4-ethylphenyl)propanoic acid is sourced from PubChem (CID 112720998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).