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

C15H14O4S — CID 81309619

IUPAC4-methoxy-2-(2-methoxyphenyl)sulfanylbenzoic acid
SMILESCOc1ccc(C(=O)O)c(Sc2ccccc2OC)c1
InChIInChI=1S/C15H14O4S/c1-18-10-7-8-11(15(16)17)14(9-10)20-13-6-4-3-5-12(13)19-2/h3-9H,1-2H3,(H,16,17)
InChIKeyGGEWVAIGLPBEBY-UHFFFAOYSA-N
MW290.34 g/mol
LogP3.55
Rot. Bonds5

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

4-methoxy-2-(2-methoxyphenyl)sulfanylbenzoic acid (PubChem CID 81309619) has the molecular formula C15H14O4S and a molecular weight of 290.34 g/mol. Its IUPAC name is 4-methoxy-2-(2-methoxyphenyl)sulfanylbenzoic acid.

Molecular Properties

Compound Name4-methoxy-2-(2-methoxyphenyl)sulfanylbenzoic acid
PubChem CID81309619
Molecular FormulaC15H14O4S
Molecular Weight290.34 g/mol
Exact Mass290.06
IUPAC Name4-methoxy-2-(2-methoxyphenyl)sulfanylbenzoic acid
SMILESCOc1ccc(C(=O)O)c(Sc2ccccc2OC)c1
InChIInChI=1S/C15H14O4S/c1-18-10-7-8-11(15(16)17)14(9-10)20-13-6-4-3-5-12(13)19-2/h3-9H,1-2H3,(H,16,17)
InChIKeyGGEWVAIGLPBEBY-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromophenyl)sulfanyl-4-methoxybenzoic acid
CID 81308598
2-[2-(hydroxymethyl)-4-methoxyphenyl]sulfanylbenzoic acid
CID 2824958
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
2-(3-fluorophenyl)sulfanyl-4-methoxybenzoic acid
CID 81309333
4-methoxy-2-pyren-1-ylsulfanylbenzoic acid
CID 134864733
4-methoxy-2-(2-methoxyphenyl)sulfanylbenzonitrile
CID 81302751
2-(3,4-dichlorophenyl)sulfanyl-4-methoxybenzoic acid
CID 81308961
2-(3-hydroxybutan-2-ylsulfanyl)-4-methoxybenzoic acid
CID 107772025
4-methoxy-2-(1,3,4-thiadiazol-2-ylsulfanyl)benzoic acid
CID 81309328
4-methoxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzoic acid
CID 81309184
4-methoxy-2-(3-methylbutylsulfanyl)benzoic acid
CID 107758014

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(2-methoxyphenyl)sulfanylbenzoic acid?
The IUPAC name of 4-methoxy-2-(2-methoxyphenyl)sulfanylbenzoic acid (CID 81309619) is 4-methoxy-2-(2-methoxyphenyl)sulfanylbenzoic acid.
What is the SMILES notation for 4-methoxy-2-(2-methoxyphenyl)sulfanylbenzoic acid?
The canonical SMILES for 4-methoxy-2-(2-methoxyphenyl)sulfanylbenzoic acid is COc1ccc(C(=O)O)c(Sc2ccccc2OC)c1.
What is the InChIKey of 4-methoxy-2-(2-methoxyphenyl)sulfanylbenzoic acid?
The InChIKey is GGEWVAIGLPBEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4S/c1-18-10-7-8-11(15(16)17)14(9-10)20-13-6-4-3-5-12(13)19-2/h3-9H,1-2H3,(H,16,17).
What are the key properties of 4-methoxy-2-(2-methoxyphenyl)sulfanylbenzoic acid?
4-methoxy-2-(2-methoxyphenyl)sulfanylbenzoic acid has a molecular weight of 290.34 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(2-methoxyphenyl)sulfanylbenzoic acid is sourced from PubChem (CID 81309619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).