2-[4-[(2,4-dichlorophenyl)methylsulfinyl]phenyl]acetic acid

C15H12Cl2O3S — CID 64929177

IUPAC2-[4-[(2,4-dichlorophenyl)methylsulfinyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(S(=O)Cc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H12Cl2O3S/c16-12-4-3-11(14(17)8-12)9-21(20)13-5-1-10(2-6-13)7-15(18)19/h1-6,8H,7,9H2,(H,18,19)
InChIKeyOQZDFFDSXXLUBD-UHFFFAOYSA-N
MW343.23 g/mol
LogP3.93
Rot. Bonds5

About 2-[4-[(2,4-dichlorophenyl)methylsulfinyl]phenyl]acetic acid

2-[4-[(2,4-dichlorophenyl)methylsulfinyl]phenyl]acetic acid (PubChem CID 64929177) has the molecular formula C15H12Cl2O3S and a molecular weight of 343.23 g/mol. Its IUPAC name is 2-[4-[(2,4-dichlorophenyl)methylsulfinyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2,4-dichlorophenyl)methylsulfinyl]phenyl]acetic acid
PubChem CID64929177
Molecular FormulaC15H12Cl2O3S
Molecular Weight343.23 g/mol
Exact Mass341.99
IUPAC Name2-[4-[(2,4-dichlorophenyl)methylsulfinyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(S(=O)Cc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H12Cl2O3S/c16-12-4-3-11(14(17)8-12)9-21(20)13-5-1-10(2-6-13)7-15(18)19/h1-6,8H,7,9H2,(H,18,19)
InChIKeyOQZDFFDSXXLUBD-UHFFFAOYSA-N
XLogP3.93
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.23
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(3-chloro-4-fluorophenyl)methylsulfinyl]phenyl]acetic acid
CID 103040683
2-[4-[(4-bromo-2-fluorophenyl)methylsulfinyl]phenyl]acetic acid
CID 64927201
2-[(2,4-dichlorophenyl)methylsulfinyl]acetic acid
CID 60982109
2-[4-[(2-chloro-6-fluorophenyl)methylsulfinyl]phenyl]acetic acid
CID 64928585
2-[4-[(3-bromo-4-fluorophenyl)methylsulfinyl]phenyl]acetic acid
CID 64929573
4-[(2,4-dichlorophenyl)methylsulfinylmethyl]benzoic acid
CID 123106904
2-[(2,4-dichlorophenyl)methylsulfinyl]butanoic acid
CID 105355502
3-[(2,4-dichlorophenyl)methylsulfinyl]butanoic acid
CID 66112809
5-[(2,4-dichlorophenyl)methylsulfinylmethyl]furan-2-carboxylic acid
CID 123122705
2-[4-[(2,5-dichlorophenoxy)methyl]phenyl]acetic acid
CID 22684497
2-[4-[(4-methoxyphenyl)methylsulfinyl]phenyl]acetic acid
CID 64927206
2-[4-[(2,5-dichlorophenyl)sulfanylmethyl]phenyl]acetic acid
CID 20989536

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,4-dichlorophenyl)methylsulfinyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[(2,4-dichlorophenyl)methylsulfinyl]phenyl]acetic acid (CID 64929177) is 2-[4-[(2,4-dichlorophenyl)methylsulfinyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(2,4-dichlorophenyl)methylsulfinyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(2,4-dichlorophenyl)methylsulfinyl]phenyl]acetic acid is O=C(O)Cc1ccc(S(=O)Cc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2-[4-[(2,4-dichlorophenyl)methylsulfinyl]phenyl]acetic acid?
The InChIKey is OQZDFFDSXXLUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O3S/c16-12-4-3-11(14(17)8-12)9-21(20)13-5-1-10(2-6-13)7-15(18)19/h1-6,8H,7,9H2,(H,18,19).
What are the key properties of 2-[4-[(2,4-dichlorophenyl)methylsulfinyl]phenyl]acetic acid?
2-[4-[(2,4-dichlorophenyl)methylsulfinyl]phenyl]acetic acid has a molecular weight of 343.23 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,4-dichlorophenyl)methylsulfinyl]phenyl]acetic acid is sourced from PubChem (CID 64929177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).