2-(4-chloro-2-methoxyphenoxy)-4-[4-(4-chlorophenyl)phenyl]butanoic acid

C23H20Cl2O4 — CID 59214996

IUPAC2-(4-chloro-2-methoxyphenoxy)-4-[4-(4-chlorophenyl)phenyl]butanoic acid
SMILESCOc1cc(Cl)ccc1OC(CCc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)O
InChIInChI=1S/C23H20Cl2O4/c1-28-22-14-19(25)11-13-20(22)29-21(23(26)27)12-4-15-2-5-16(6-3-15)17-7-9-18(24)10-8-17/h2-3,5-11,13-14,21H,4,12H2,1H3,(H,26,27)
InChIKeyMWTZLVCDFYHOTM-UHFFFAOYSA-N
MW431.32 g/mol
LogP6.13
Rot. Bonds8

About 2-(4-chloro-2-methoxyphenoxy)-4-[4-(4-chlorophenyl)phenyl]butanoic acid

2-(4-chloro-2-methoxyphenoxy)-4-[4-(4-chlorophenyl)phenyl]butanoic acid (PubChem CID 59214996) has the molecular formula C23H20Cl2O4 and a molecular weight of 431.32 g/mol. Its IUPAC name is 2-(4-chloro-2-methoxyphenoxy)-4-[4-(4-chlorophenyl)phenyl]butanoic acid.

Molecular Properties

Compound Name2-(4-chloro-2-methoxyphenoxy)-4-[4-(4-chlorophenyl)phenyl]butanoic acid
PubChem CID59214996
Molecular FormulaC23H20Cl2O4
Molecular Weight431.32 g/mol
Exact Mass430.07
IUPAC Name2-(4-chloro-2-methoxyphenoxy)-4-[4-(4-chlorophenyl)phenyl]butanoic acid
SMILESCOc1cc(Cl)ccc1OC(CCc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)O
InChIInChI=1S/C23H20Cl2O4/c1-28-22-14-19(25)11-13-20(22)29-21(23(26)27)12-4-15-2-5-16(6-3-15)17-7-9-18(24)10-8-17/h2-3,5-11,13-14,21H,4,12H2,1H3,(H,26,27)
InChIKeyMWTZLVCDFYHOTM-UHFFFAOYSA-N
XLogP6.13
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.32
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-acetyl-4-chlorophenoxy)-4-[4-(4-chlorophenyl)phenyl]butanoic acid
CID 59214926
2-(4-acetyl-2-ethylphenoxy)-4-[4-(4-chlorophenyl)phenyl]butanoic acid
CID 59214992
4-[4-(4-chlorophenyl)phenyl]-2-[2-[methoxy(methyl)amino]-5-methylphenoxy]butanoic acid
CID 88961617
4-[4-(4-chlorophenyl)phenyl]-2-[2-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-4-methylphenoxy]butanoic acid
CID 59214972
2-[(2-bromo-3-pyridinyl)oxy]-4-[4-(4-chlorophenyl)phenyl]butanoic acid
CID 59215034
(2S)-4-(4-chlorophenyl)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]butanamide
CID 142673521
2-(1,3-benzodioxol-5-yloxy)-4-[4-(4-chlorophenyl)phenyl]butanoic acid
CID 59215035
2-[2-acetyl-5-(2-ethoxy-2-oxoethoxy)phenoxy]-4-[4-(4-chlorophenyl)phenyl]butanoic acid
CID 59214917
3-(5-chloro-2-methoxyphenyl)-2-(2-methoxyphenoxy)propanoic acid
CID 133241219
4-[4-(4-chlorophenyl)phenyl]-2-[2-[(Z)-3-(furan-2-yl)-1-hydroxy-3-oxoprop-1-enyl]phenoxy]butanoic acid
CID 59214929
(2R)-3-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenoxy)propanoic acid
CID 100547124
(2S)-3-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenoxy)propanoic acid
CID 100547133

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methoxyphenoxy)-4-[4-(4-chlorophenyl)phenyl]butanoic acid?
The IUPAC name of 2-(4-chloro-2-methoxyphenoxy)-4-[4-(4-chlorophenyl)phenyl]butanoic acid (CID 59214996) is 2-(4-chloro-2-methoxyphenoxy)-4-[4-(4-chlorophenyl)phenyl]butanoic acid.
What is the SMILES notation for 2-(4-chloro-2-methoxyphenoxy)-4-[4-(4-chlorophenyl)phenyl]butanoic acid?
The canonical SMILES for 2-(4-chloro-2-methoxyphenoxy)-4-[4-(4-chlorophenyl)phenyl]butanoic acid is COc1cc(Cl)ccc1OC(CCc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)O.
What is the InChIKey of 2-(4-chloro-2-methoxyphenoxy)-4-[4-(4-chlorophenyl)phenyl]butanoic acid?
The InChIKey is MWTZLVCDFYHOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2O4/c1-28-22-14-19(25)11-13-20(22)29-21(23(26)27)12-4-15-2-5-16(6-3-15)17-7-9-18(24)10-8-17/h2-3,5-11,13-14,21H,4,12H2,1H3,(H,26,27).
What are the key properties of 2-(4-chloro-2-methoxyphenoxy)-4-[4-(4-chlorophenyl)phenyl]butanoic acid?
2-(4-chloro-2-methoxyphenoxy)-4-[4-(4-chlorophenyl)phenyl]butanoic acid has a molecular weight of 431.32 g/mol, XLogP of 6.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methoxyphenoxy)-4-[4-(4-chlorophenyl)phenyl]butanoic acid is sourced from PubChem (CID 59214996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).