2-[(5-chloro-2-methoxyphenyl)methylsulfinyl]acetic acid

C10H11ClO4S — CID 60983231

IUPAC2-[(5-chloro-2-methoxyphenyl)methylsulfinyl]acetic acid
SMILESCOc1ccc(Cl)cc1CS(=O)CC(=O)O
InChIInChI=1S/C10H11ClO4S/c1-15-9-3-2-8(11)4-7(9)5-16(14)6-10(12)13/h2-4H,5-6H2,1H3,(H,12,13)
InChIKeyPEELQCVVUOSBDG-UHFFFAOYSA-N
MW262.71 g/mol
LogP1.68
Rot. Bonds5

About 2-[(5-chloro-2-methoxyphenyl)methylsulfinyl]acetic acid

2-[(5-chloro-2-methoxyphenyl)methylsulfinyl]acetic acid (PubChem CID 60983231) has the molecular formula C10H11ClO4S and a molecular weight of 262.71 g/mol. Its IUPAC name is 2-[(5-chloro-2-methoxyphenyl)methylsulfinyl]acetic acid.

Molecular Properties

Compound Name2-[(5-chloro-2-methoxyphenyl)methylsulfinyl]acetic acid
PubChem CID60983231
Molecular FormulaC10H11ClO4S
Molecular Weight262.71 g/mol
Exact Mass262.01
IUPAC Name2-[(5-chloro-2-methoxyphenyl)methylsulfinyl]acetic acid
SMILESCOc1ccc(Cl)cc1CS(=O)CC(=O)O
InChIInChI=1S/C10H11ClO4S/c1-15-9-3-2-8(11)4-7(9)5-16(14)6-10(12)13/h2-4H,5-6H2,1H3,(H,12,13)
InChIKeyPEELQCVVUOSBDG-UHFFFAOYSA-N
XLogP1.68
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.71
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,4-dichlorophenyl)methylsulfinyl]acetic acid
CID 60982109
3-[(5-chloro-2-methoxyphenyl)methylsulfinyl]-N-phenylpropanamide
CID 56808114
5-(5-chloro-2-methoxyphenyl)pentanoic acid
CID 93186212
3-[(5-chloro-2-methoxyphenyl)methylsulfinylmethyl]-5-methyl-1,2-oxazole
CID 56827604
4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
CID 626547
4-(5-chloro-2-methoxyphenyl)-3,3-difluorobutanoic acid
CID 116839842
3-amino-4-(5-chloro-2-methoxyphenyl)butanoic acid
CID 82478281
2-(5-chloro-2-methoxyphenyl)ethylcarbamic acid
CID 115171089
2-[2-(5-chloro-2-methoxyphenyl)ethyl-methylamino]acetic acid
CID 112519079
3-[(4-chlorophenyl)methylsulfinylmethyl]-4-methoxyaniline
CID 114790907
1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-one
CID 62620437
2-[(3-dimethoxyphosphorylsulfanyl-4-methoxyphenyl)methylsulfinyl]acetic acid
CID 67103231

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-methoxyphenyl)methylsulfinyl]acetic acid?
The IUPAC name of 2-[(5-chloro-2-methoxyphenyl)methylsulfinyl]acetic acid (CID 60983231) is 2-[(5-chloro-2-methoxyphenyl)methylsulfinyl]acetic acid.
What is the SMILES notation for 2-[(5-chloro-2-methoxyphenyl)methylsulfinyl]acetic acid?
The canonical SMILES for 2-[(5-chloro-2-methoxyphenyl)methylsulfinyl]acetic acid is COc1ccc(Cl)cc1CS(=O)CC(=O)O.
What is the InChIKey of 2-[(5-chloro-2-methoxyphenyl)methylsulfinyl]acetic acid?
The InChIKey is PEELQCVVUOSBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO4S/c1-15-9-3-2-8(11)4-7(9)5-16(14)6-10(12)13/h2-4H,5-6H2,1H3,(H,12,13).
What are the key properties of 2-[(5-chloro-2-methoxyphenyl)methylsulfinyl]acetic acid?
2-[(5-chloro-2-methoxyphenyl)methylsulfinyl]acetic acid has a molecular weight of 262.71 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-methoxyphenyl)methylsulfinyl]acetic acid is sourced from PubChem (CID 60983231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).