chloroethene;ethenyl acetate;phenol

C12H15ClO3 — CID 162207546

IUPACchloroethene;ethenyl acetate;phenol
SMILESC=CCl.C=COC(C)=O.Oc1ccccc1
InChIInChI=1S/C6H6O.C4H6O2.C2H3Cl/c7-6-4-2-1-3-5-6;1-3-6-4(2)5;1-2-3/h1-5,7H;3H,1H2,2H3;2H,1H2
InChIKeyZSKBCONQJMLTHW-UHFFFAOYSA-N
MW242.70 g/mol
LogP3.45
Rot. Bonds1

About chloroethene;ethenyl acetate;phenol

chloroethene;ethenyl acetate;phenol (PubChem CID 162207546) has the molecular formula C12H15ClO3 and a molecular weight of 242.70 g/mol. Its IUPAC name is chloroethene;ethenyl acetate;phenol.

Molecular Properties

Compound Namechloroethene;ethenyl acetate;phenol
PubChem CID162207546
Molecular FormulaC12H15ClO3
Molecular Weight242.70 g/mol
Exact Mass242.07
IUPAC Namechloroethene;ethenyl acetate;phenol
SMILESC=CCl.C=COC(C)=O.Oc1ccccc1
InChIInChI=1S/C6H6O.C4H6O2.C2H3Cl/c7-6-4-2-1-3-5-6;1-3-6-4(2)5;1-2-3/h1-5,7H;3H,1H2,2H3;2H,1H2
InChIKeyZSKBCONQJMLTHW-UHFFFAOYSA-N
XLogP3.45
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.70
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chloroethene;ethenyl acetate;phenol?
The IUPAC name of chloroethene;ethenyl acetate;phenol (CID 162207546) is chloroethene;ethenyl acetate;phenol.
What is the SMILES notation for chloroethene;ethenyl acetate;phenol?
The canonical SMILES for chloroethene;ethenyl acetate;phenol is C=CCl.C=COC(C)=O.Oc1ccccc1.
What is the InChIKey of chloroethene;ethenyl acetate;phenol?
The InChIKey is ZSKBCONQJMLTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.C4H6O2.C2H3Cl/c7-6-4-2-1-3-5-6;1-3-6-4(2)5;1-2-3/h1-5,7H;3H,1H2,2H3;2H,1H2.
What are the key properties of chloroethene;ethenyl acetate;phenol?
chloroethene;ethenyl acetate;phenol has a molecular weight of 242.70 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloroethene;ethenyl acetate;phenol is sourced from PubChem (CID 162207546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).