[4-(4-methylsulfanylphenyl)phenyl] acetate

C15H14O2S — CID 143021486

IUPAC[4-(4-methylsulfanylphenyl)phenyl] acetate
SMILESCSc1ccc(-c2ccc(OC(C)=O)cc2)cc1
InChIInChI=1S/C15H14O2S/c1-11(16)17-14-7-3-12(4-8-14)13-5-9-15(18-2)10-6-13/h3-10H,1-2H3
InChIKeyWTEBQECWXWPLJM-UHFFFAOYSA-N
MW258.34 g/mol
LogP4.00
Rot. Bonds3

About [4-(4-methylsulfanylphenyl)phenyl] acetate

[4-(4-methylsulfanylphenyl)phenyl] acetate (PubChem CID 143021486) has the molecular formula C15H14O2S and a molecular weight of 258.34 g/mol. Its IUPAC name is [4-(4-methylsulfanylphenyl)phenyl] acetate.

Molecular Properties

Compound Name[4-(4-methylsulfanylphenyl)phenyl] acetate
PubChem CID143021486
Molecular FormulaC15H14O2S
Molecular Weight258.34 g/mol
Exact Mass258.07
IUPAC Name[4-(4-methylsulfanylphenyl)phenyl] acetate
SMILESCSc1ccc(-c2ccc(OC(C)=O)cc2)cc1
InChIInChI=1S/C15H14O2S/c1-11(16)17-14-7-3-12(4-8-14)13-5-9-15(18-2)10-6-13/h3-10H,1-2H3
InChIKeyWTEBQECWXWPLJM-UHFFFAOYSA-N
XLogP4.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-(disulfanyl)phenyl] acetate
CID 175006225
bis(4-methylsulfanylphenyl) butanedioate
CID 71384678
[4-(4-methylsulfanylbenzoyl)oxyphenyl] 4-methylsulfanylbenzoate
CID 132510900
(4-methylphenyl) acetate;zinc
CID 159589232
tert-butyl (4-methylsulfanylphenyl) carbonate
CID 15044335
ethane;1-methylsulfanyl-4-(4-methylsulfanylphenyl)benzene
CID 143577780
1-methoxy-4-methylbenzene;1-methyl-4-methylsulfanylbenzene;1-methyl-4-(4-methylsulfanylphenyl)benzene;1-(4-methylphenyl)ethanone;molecular oxygen
CID 161053566
[4-(4-acetyloxyphenyl)phenyl] 4-hydroxybenzoate
CID 143452404
[4-(4-acetyloxyphenyl)phenyl] 4-methoxybenzoate
CID 166041764
(4-acetyloxyphenyl) acetate;ethanamine
CID 160806185
(4-chlorophenyl) acetate
CID 13410
N-[4-(4-methylsulfanylphenyl)phenoxy]prop-2-enamide
CID 143476177

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylsulfanylphenyl)phenyl] acetate?
The IUPAC name of [4-(4-methylsulfanylphenyl)phenyl] acetate (CID 143021486) is [4-(4-methylsulfanylphenyl)phenyl] acetate.
What is the SMILES notation for [4-(4-methylsulfanylphenyl)phenyl] acetate?
The canonical SMILES for [4-(4-methylsulfanylphenyl)phenyl] acetate is CSc1ccc(-c2ccc(OC(C)=O)cc2)cc1.
What is the InChIKey of [4-(4-methylsulfanylphenyl)phenyl] acetate?
The InChIKey is WTEBQECWXWPLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2S/c1-11(16)17-14-7-3-12(4-8-14)13-5-9-15(18-2)10-6-13/h3-10H,1-2H3.
What are the key properties of [4-(4-methylsulfanylphenyl)phenyl] acetate?
[4-(4-methylsulfanylphenyl)phenyl] acetate has a molecular weight of 258.34 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylsulfanylphenyl)phenyl] acetate is sourced from PubChem (CID 143021486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).