4-methoxy-2-(4-methylsulfanylphenoxy)benzoic acid

C15H14O4S — CID 81308953

IUPAC4-methoxy-2-(4-methylsulfanylphenoxy)benzoic acid
SMILESCOc1ccc(C(=O)O)c(Oc2ccc(SC)cc2)c1
InChIInChI=1S/C15H14O4S/c1-18-11-5-8-13(15(16)17)14(9-11)19-10-3-6-12(20-2)7-4-10/h3-9H,1-2H3,(H,16,17)
InChIKeyAZVWYMLGAQFAJZ-UHFFFAOYSA-N
MW290.34 g/mol
LogP3.91
Rot. Bonds5

About 4-methoxy-2-(4-methylsulfanylphenoxy)benzoic acid

4-methoxy-2-(4-methylsulfanylphenoxy)benzoic acid (PubChem CID 81308953) has the molecular formula C15H14O4S and a molecular weight of 290.34 g/mol. Its IUPAC name is 4-methoxy-2-(4-methylsulfanylphenoxy)benzoic acid.

Molecular Properties

Compound Name4-methoxy-2-(4-methylsulfanylphenoxy)benzoic acid
PubChem CID81308953
Molecular FormulaC15H14O4S
Molecular Weight290.34 g/mol
Exact Mass290.06
IUPAC Name4-methoxy-2-(4-methylsulfanylphenoxy)benzoic acid
SMILESCOc1ccc(C(=O)O)c(Oc2ccc(SC)cc2)c1
InChIInChI=1S/C15H14O4S/c1-18-11-5-8-13(15(16)17)14(9-11)19-10-3-6-12(20-2)7-4-10/h3-9H,1-2H3,(H,16,17)
InChIKeyAZVWYMLGAQFAJZ-UHFFFAOYSA-N
XLogP3.91
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2-pyridin-4-yloxybenzoic acid
CID 58236553
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
2-(3,5-dichlorophenoxy)-4-methoxybenzoic acid
CID 81309181
2-(4-methoxyphenoxy)-4-methylbenzoic acid
CID 55107428
(2,4-dimethoxyphenyl)-(4-methylsulfanylphenyl)methanone
CID 112694184
2-methyl-4-(4-methylsulfanylphenoxy)benzoic acid
CID 63649360
2-methoxy-4-[(4-methylsulfanylphenoxy)methyl]benzoic acid
CID 106794086
4-(4-methylsulfanylphenoxy)pyridine-3-carboxylic acid
CID 81226086
2-[3-(dimethylamino)phenoxy]-4-methoxybenzoic acid
CID 81300432
4-methoxy-2-pyrimidin-4-yloxybenzoic acid
CID 55134188
4-methoxy-2-(4-methylsulfanylphenoxy)benzonitrile
CID 81305970

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(4-methylsulfanylphenoxy)benzoic acid?
The IUPAC name of 4-methoxy-2-(4-methylsulfanylphenoxy)benzoic acid (CID 81308953) is 4-methoxy-2-(4-methylsulfanylphenoxy)benzoic acid.
What is the SMILES notation for 4-methoxy-2-(4-methylsulfanylphenoxy)benzoic acid?
The canonical SMILES for 4-methoxy-2-(4-methylsulfanylphenoxy)benzoic acid is COc1ccc(C(=O)O)c(Oc2ccc(SC)cc2)c1.
What is the InChIKey of 4-methoxy-2-(4-methylsulfanylphenoxy)benzoic acid?
The InChIKey is AZVWYMLGAQFAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4S/c1-18-11-5-8-13(15(16)17)14(9-11)19-10-3-6-12(20-2)7-4-10/h3-9H,1-2H3,(H,16,17).
What are the key properties of 4-methoxy-2-(4-methylsulfanylphenoxy)benzoic acid?
4-methoxy-2-(4-methylsulfanylphenoxy)benzoic acid has a molecular weight of 290.34 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(4-methylsulfanylphenoxy)benzoic acid is sourced from PubChem (CID 81308953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).