phenyl acetate;thiophene

C12H12O2S — CID 174909325

IUPACphenyl acetate;thiophene
SMILESCC(=O)Oc1ccccc1.c1ccsc1
InChIInChI=1S/C8H8O2.C4H4S/c1-7(9)10-8-5-3-2-4-6-8;1-2-4-5-3-1/h2-6H,1H3;1-4H
InChIKeyZGWMXPPPQWYSNV-UHFFFAOYSA-N
MW220.29 g/mol
LogP3.36
Rot. Bonds1

About phenyl acetate;thiophene

phenyl acetate;thiophene (PubChem CID 174909325) has the molecular formula C12H12O2S and a molecular weight of 220.29 g/mol. Its IUPAC name is phenyl acetate;thiophene.

Molecular Properties

Compound Namephenyl acetate;thiophene
PubChem CID174909325
Molecular FormulaC12H12O2S
Molecular Weight220.29 g/mol
Exact Mass220.06
IUPAC Namephenyl acetate;thiophene
SMILESCC(=O)Oc1ccccc1.c1ccsc1
InChIInChI=1S/C8H8O2.C4H4S/c1-7(9)10-8-5-3-2-4-6-8;1-2-4-5-3-1/h2-6H,1H3;1-4H
InChIKeyZGWMXPPPQWYSNV-UHFFFAOYSA-N
XLogP3.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 53.36
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

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Frequently Asked Questions

What is the IUPAC name of phenyl acetate;thiophene?
The IUPAC name of phenyl acetate;thiophene (CID 174909325) is phenyl acetate;thiophene.
What is the SMILES notation for phenyl acetate;thiophene?
The canonical SMILES for phenyl acetate;thiophene is CC(=O)Oc1ccccc1.c1ccsc1.
What is the InChIKey of phenyl acetate;thiophene?
The InChIKey is ZGWMXPPPQWYSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2.C4H4S/c1-7(9)10-8-5-3-2-4-6-8;1-2-4-5-3-1/h2-6H,1H3;1-4H.
What are the key properties of phenyl acetate;thiophene?
phenyl acetate;thiophene has a molecular weight of 220.29 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl acetate;thiophene is sourced from PubChem (CID 174909325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).