methyl 2-[2-[(2-chlorophenyl)sulfanylmethyl]phenyl]acetate

C16H15ClO2S — CID 115460841

IUPACmethyl 2-[2-[(2-chlorophenyl)sulfanylmethyl]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1CSc1ccccc1Cl
InChIInChI=1S/C16H15ClO2S/c1-19-16(18)10-12-6-2-3-7-13(12)11-20-15-9-5-4-8-14(15)17/h2-9H,10-11H2,1H3
InChIKeyYVFKPPMQFAQAQG-UHFFFAOYSA-N
MW306.81 g/mol
LogP4.35
Rot. Bonds5

About methyl 2-[2-[(2-chlorophenyl)sulfanylmethyl]phenyl]acetate

methyl 2-[2-[(2-chlorophenyl)sulfanylmethyl]phenyl]acetate (PubChem CID 115460841) has the molecular formula C16H15ClO2S and a molecular weight of 306.81 g/mol. Its IUPAC name is methyl 2-[2-[(2-chlorophenyl)sulfanylmethyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(2-chlorophenyl)sulfanylmethyl]phenyl]acetate
PubChem CID115460841
Molecular FormulaC16H15ClO2S
Molecular Weight306.81 g/mol
Exact Mass306.05
IUPAC Namemethyl 2-[2-[(2-chlorophenyl)sulfanylmethyl]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1CSc1ccccc1Cl
InChIInChI=1S/C16H15ClO2S/c1-19-16(18)10-12-6-2-3-7-13(12)11-20-15-9-5-4-8-14(15)17/h2-9H,10-11H2,1H3
InChIKeyYVFKPPMQFAQAQG-UHFFFAOYSA-N
XLogP4.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.81
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[2-[(2-fluorophenyl)sulfanylmethyl]phenyl]acetate
CID 115460832
methyl 2-[2-[(2-amino-3-methylphenyl)sulfanylmethyl]phenyl]acetate
CID 115461023
methyl 4-(2-chlorophenyl)sulfanylbutanoate
CID 43378296
methyl 2-[2-[(3-amino-4-pyridinyl)sulfanylmethyl]phenyl]acetate
CID 115460918
methyl 2-[2-[(2,6-dimethylphenyl)methylsulfanyl]phenyl]acetate
CID 54079299
methyl 2-[2-(2-hydroxyethylsulfanylmethyl)phenyl]acetate
CID 115460884
methyl 2-[2-(1,3-thiazol-2-ylsulfanylmethyl)phenyl]acetate
CID 113314363
methyl 2-(2-propan-2-ylsulfanylphenyl)acetate
CID 67952900
methyl 2-[2-(2-oxopropyl)phenyl]acetate
CID 70551388
methyl 2-[[2-(2-chlorophenyl)sulfanylacetyl]-ethylamino]acetate
CID 54979578
methyl 2-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]phenyl]acetate
CID 115461043
2-(2-chlorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 2342913

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(2-chlorophenyl)sulfanylmethyl]phenyl]acetate?
The IUPAC name of methyl 2-[2-[(2-chlorophenyl)sulfanylmethyl]phenyl]acetate (CID 115460841) is methyl 2-[2-[(2-chlorophenyl)sulfanylmethyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[2-[(2-chlorophenyl)sulfanylmethyl]phenyl]acetate?
The canonical SMILES for methyl 2-[2-[(2-chlorophenyl)sulfanylmethyl]phenyl]acetate is COC(=O)Cc1ccccc1CSc1ccccc1Cl.
What is the InChIKey of methyl 2-[2-[(2-chlorophenyl)sulfanylmethyl]phenyl]acetate?
The InChIKey is YVFKPPMQFAQAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO2S/c1-19-16(18)10-12-6-2-3-7-13(12)11-20-15-9-5-4-8-14(15)17/h2-9H,10-11H2,1H3.
What are the key properties of methyl 2-[2-[(2-chlorophenyl)sulfanylmethyl]phenyl]acetate?
methyl 2-[2-[(2-chlorophenyl)sulfanylmethyl]phenyl]acetate has a molecular weight of 306.81 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(2-chlorophenyl)sulfanylmethyl]phenyl]acetate is sourced from PubChem (CID 115460841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).