methyl 2-[2-(3-hydroxyphenyl)sulfanylphenyl]acetate

C15H14O3S — CID 14674868

IUPACmethyl 2-[2-(3-hydroxyphenyl)sulfanylphenyl]acetate
SMILESCOC(=O)Cc1ccccc1Sc1cccc(O)c1
InChIInChI=1S/C15H14O3S/c1-18-15(17)9-11-5-2-3-8-14(11)19-13-7-4-6-12(16)10-13/h2-8,10,16H,9H2,1H3
InChIKeyPJQFRNHZUVTAPT-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.26
Rot. Bonds4

About methyl 2-[2-(3-hydroxyphenyl)sulfanylphenyl]acetate

methyl 2-[2-(3-hydroxyphenyl)sulfanylphenyl]acetate (PubChem CID 14674868) has the molecular formula C15H14O3S and a molecular weight of 274.34 g/mol. Its IUPAC name is methyl 2-[2-(3-hydroxyphenyl)sulfanylphenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(3-hydroxyphenyl)sulfanylphenyl]acetate
PubChem CID14674868
Molecular FormulaC15H14O3S
Molecular Weight274.34 g/mol
Exact Mass274.07
IUPAC Namemethyl 2-[2-(3-hydroxyphenyl)sulfanylphenyl]acetate
SMILESCOC(=O)Cc1ccccc1Sc1cccc(O)c1
InChIInChI=1S/C15H14O3S/c1-18-15(17)9-11-5-2-3-8-14(11)19-13-7-4-6-12(16)10-13/h2-8,10,16H,9H2,1H3
InChIKeyPJQFRNHZUVTAPT-UHFFFAOYSA-N
XLogP3.26
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(3-hydroxyphenyl)sulfanylphenyl]acetate?
The IUPAC name of methyl 2-[2-(3-hydroxyphenyl)sulfanylphenyl]acetate (CID 14674868) is methyl 2-[2-(3-hydroxyphenyl)sulfanylphenyl]acetate.
What is the SMILES notation for methyl 2-[2-(3-hydroxyphenyl)sulfanylphenyl]acetate?
The canonical SMILES for methyl 2-[2-(3-hydroxyphenyl)sulfanylphenyl]acetate is COC(=O)Cc1ccccc1Sc1cccc(O)c1.
What is the InChIKey of methyl 2-[2-(3-hydroxyphenyl)sulfanylphenyl]acetate?
The InChIKey is PJQFRNHZUVTAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3S/c1-18-15(17)9-11-5-2-3-8-14(11)19-13-7-4-6-12(16)10-13/h2-8,10,16H,9H2,1H3.
What are the key properties of methyl 2-[2-(3-hydroxyphenyl)sulfanylphenyl]acetate?
methyl 2-[2-(3-hydroxyphenyl)sulfanylphenyl]acetate has a molecular weight of 274.34 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(3-hydroxyphenyl)sulfanylphenyl]acetate is sourced from PubChem (CID 14674868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).