4-(4-methoxy-2-methylphenyl)sulfanylbenzoic acid

C15H14O3S — CID 91878618

IUPAC4-(4-methoxy-2-methylphenyl)sulfanylbenzoic acid
SMILESCOc1ccc(Sc2ccc(C(=O)O)cc2)c(C)c1
InChIInChI=1S/C15H14O3S/c1-10-9-12(18-2)5-8-14(10)19-13-6-3-11(4-7-13)15(16)17/h3-9H,1-2H3,(H,16,17)
InChIKeyVJDMGTKQFOICIQ-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.85
Rot. Bonds4

About 4-(4-methoxy-2-methylphenyl)sulfanylbenzoic acid

4-(4-methoxy-2-methylphenyl)sulfanylbenzoic acid (PubChem CID 91878618) has the molecular formula C15H14O3S and a molecular weight of 274.34 g/mol. Its IUPAC name is 4-(4-methoxy-2-methylphenyl)sulfanylbenzoic acid.

Molecular Properties

Compound Name4-(4-methoxy-2-methylphenyl)sulfanylbenzoic acid
PubChem CID91878618
Molecular FormulaC15H14O3S
Molecular Weight274.34 g/mol
Exact Mass274.07
IUPAC Name4-(4-methoxy-2-methylphenyl)sulfanylbenzoic acid
SMILESCOc1ccc(Sc2ccc(C(=O)O)cc2)c(C)c1
InChIInChI=1S/C15H14O3S/c1-10-9-12(18-2)5-8-14(10)19-13-6-3-11(4-7-13)15(16)17/h3-9H,1-2H3,(H,16,17)
InChIKeyVJDMGTKQFOICIQ-UHFFFAOYSA-N
XLogP3.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-iodo-4-(4-methoxyphenyl)sulfanylbenzoic acid
CID 91878620
4-(6-methoxynaphthalene-2-carbonyl)benzoic acid
CID 70129561
4-bromo-1-(4-methoxyphenyl)sulfanyl-2-methylbenzene
CID 91877415
[4-(4-methoxyphenyl)sulfanyl-3-methylphenyl]methanol
CID 63814136
methyl 4-(2-chloro-4-methoxyphenyl)sulfanylbenzoate
CID 91879021
4-methoxybenzoic acid;hydrobromide
CID 172731707
4-methoxybenzoic acid;silver
CID 140722019
2-(4-methoxy-2-methylphenyl)sulfanylpropanoic acid
CID 82023699
4-(2-hydroxy-4-methoxybenzoyl)benzoic acid
CID 22162022
4-methoxybenzoic acid;1-methoxy-4-methylbenzene
CID 18916324
4-[4-[4-(4-carboxyphenoxy)phenyl]sulfanylphenoxy]benzoic acid
CID 14177975
3-(4-methoxy-2-methylphenyl)-4-methylbenzoic acid
CID 81476317

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-2-methylphenyl)sulfanylbenzoic acid?
The IUPAC name of 4-(4-methoxy-2-methylphenyl)sulfanylbenzoic acid (CID 91878618) is 4-(4-methoxy-2-methylphenyl)sulfanylbenzoic acid.
What is the SMILES notation for 4-(4-methoxy-2-methylphenyl)sulfanylbenzoic acid?
The canonical SMILES for 4-(4-methoxy-2-methylphenyl)sulfanylbenzoic acid is COc1ccc(Sc2ccc(C(=O)O)cc2)c(C)c1.
What is the InChIKey of 4-(4-methoxy-2-methylphenyl)sulfanylbenzoic acid?
The InChIKey is VJDMGTKQFOICIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3S/c1-10-9-12(18-2)5-8-14(10)19-13-6-3-11(4-7-13)15(16)17/h3-9H,1-2H3,(H,16,17).
What are the key properties of 4-(4-methoxy-2-methylphenyl)sulfanylbenzoic acid?
4-(4-methoxy-2-methylphenyl)sulfanylbenzoic acid has a molecular weight of 274.34 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-2-methylphenyl)sulfanylbenzoic acid is sourced from PubChem (CID 91878618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).