2-(2-acetyl-4-chlorophenoxy)-4-[4-(4-chlorophenyl)phenyl]butanoic acid

C24H20Cl2O4 — CID 59214926

IUPAC2-(2-acetyl-4-chlorophenoxy)-4-[4-(4-chlorophenyl)phenyl]butanoic acid
SMILESCC(=O)c1cc(Cl)ccc1OC(CCc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)O
InChIInChI=1S/C24H20Cl2O4/c1-15(27)21-14-20(26)11-13-22(21)30-23(24(28)29)12-4-16-2-5-17(6-3-16)18-7-9-19(25)10-8-18/h2-3,5-11,13-14,23H,4,12H2,1H3,(H,28,29)
InChIKeyXVAZQIPWEAKCAA-UHFFFAOYSA-N
MW443.33 g/mol
LogP6.33
Rot. Bonds8

About 2-(2-acetyl-4-chlorophenoxy)-4-[4-(4-chlorophenyl)phenyl]butanoic acid

2-(2-acetyl-4-chlorophenoxy)-4-[4-(4-chlorophenyl)phenyl]butanoic acid (PubChem CID 59214926) has the molecular formula C24H20Cl2O4 and a molecular weight of 443.33 g/mol. Its IUPAC name is 2-(2-acetyl-4-chlorophenoxy)-4-[4-(4-chlorophenyl)phenyl]butanoic acid.

Molecular Properties

Compound Name2-(2-acetyl-4-chlorophenoxy)-4-[4-(4-chlorophenyl)phenyl]butanoic acid
PubChem CID59214926
Molecular FormulaC24H20Cl2O4
Molecular Weight443.33 g/mol
Exact Mass442.07
IUPAC Name2-(2-acetyl-4-chlorophenoxy)-4-[4-(4-chlorophenyl)phenyl]butanoic acid
SMILESCC(=O)c1cc(Cl)ccc1OC(CCc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)O
InChIInChI=1S/C24H20Cl2O4/c1-15(27)21-14-20(26)11-13-22(21)30-23(24(28)29)12-4-16-2-5-17(6-3-16)18-7-9-19(25)10-8-18/h2-3,5-11,13-14,23H,4,12H2,1H3,(H,28,29)
InChIKeyXVAZQIPWEAKCAA-UHFFFAOYSA-N
XLogP6.33
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.33
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-2-methoxyphenoxy)-4-[4-(4-chlorophenyl)phenyl]butanoic acid
CID 59214996
2-(2-acetyl-4-chlorophenoxy)pentanoic acid
CID 83040836
2-(4-acetyl-2-ethylphenoxy)-4-[4-(4-chlorophenyl)phenyl]butanoic acid
CID 59214992
4-[4-(4-chlorophenyl)phenyl]-2-[2-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-4-methylphenoxy]butanoic acid
CID 59214972
2-[2-acetyl-5-(2-ethoxy-2-oxoethoxy)phenoxy]-4-[4-(4-chlorophenyl)phenyl]butanoic acid
CID 59214917
4-[4-(4-chlorophenyl)phenyl]-2-[2-[methoxy(methyl)amino]-5-methylphenoxy]butanoic acid
CID 88961617
2-[(2-bromo-3-pyridinyl)oxy]-4-[4-(4-chlorophenyl)phenyl]butanoic acid
CID 59215034
4-[4-(4-chlorophenyl)phenyl]-2-[2-[(Z)-3-(furan-2-yl)-1-hydroxy-3-oxoprop-1-enyl]phenoxy]butanoic acid
CID 59214929
2-(1,3-benzodioxol-5-yloxy)-4-[4-(4-chlorophenyl)phenyl]butanoic acid
CID 59215035
4-[4-[2-[(5-chloro-2-propan-2-yloxybenzoyl)amino]ethyl]phenyl]benzoic acid
CID 58148767
1-[5-chloro-2-(1-fluoropropoxy)phenyl]ethanone
CID 166156338
2-(2-acetyl-4-chlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 7167774

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-4-chlorophenoxy)-4-[4-(4-chlorophenyl)phenyl]butanoic acid?
The IUPAC name of 2-(2-acetyl-4-chlorophenoxy)-4-[4-(4-chlorophenyl)phenyl]butanoic acid (CID 59214926) is 2-(2-acetyl-4-chlorophenoxy)-4-[4-(4-chlorophenyl)phenyl]butanoic acid.
What is the SMILES notation for 2-(2-acetyl-4-chlorophenoxy)-4-[4-(4-chlorophenyl)phenyl]butanoic acid?
The canonical SMILES for 2-(2-acetyl-4-chlorophenoxy)-4-[4-(4-chlorophenyl)phenyl]butanoic acid is CC(=O)c1cc(Cl)ccc1OC(CCc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)O.
What is the InChIKey of 2-(2-acetyl-4-chlorophenoxy)-4-[4-(4-chlorophenyl)phenyl]butanoic acid?
The InChIKey is XVAZQIPWEAKCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2O4/c1-15(27)21-14-20(26)11-13-22(21)30-23(24(28)29)12-4-16-2-5-17(6-3-16)18-7-9-19(25)10-8-18/h2-3,5-11,13-14,23H,4,12H2,1H3,(H,28,29).
What are the key properties of 2-(2-acetyl-4-chlorophenoxy)-4-[4-(4-chlorophenyl)phenyl]butanoic acid?
2-(2-acetyl-4-chlorophenoxy)-4-[4-(4-chlorophenyl)phenyl]butanoic acid has a molecular weight of 443.33 g/mol, XLogP of 6.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-4-chlorophenoxy)-4-[4-(4-chlorophenyl)phenyl]butanoic acid is sourced from PubChem (CID 59214926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).