chloroethene;phenol

C8H9ClO — CID 19792278

IUPACchloroethene;phenol
SMILESC=CCl.Oc1ccccc1
InChIInChI=1S/C6H6O.C2H3Cl/c7-6-4-2-1-3-5-6;1-2-3/h1-5,7H;2H,1H2
InChIKeyZJWOOODLXUITBD-UHFFFAOYSA-N
MW156.61 g/mol
LogP2.76
Rot. Bonds

About chloroethene;phenol

chloroethene;phenol (PubChem CID 19792278) has the molecular formula C8H9ClO and a molecular weight of 156.61 g/mol. Its IUPAC name is chloroethene;phenol.

Molecular Properties

Compound Namechloroethene;phenol
PubChem CID19792278
Molecular FormulaC8H9ClO
Molecular Weight156.61 g/mol
Exact Mass156.03
IUPAC Namechloroethene;phenol
SMILESC=CCl.Oc1ccccc1
InChIInChI=1S/C6H6O.C2H3Cl/c7-6-4-2-1-3-5-6;1-2-3/h1-5,7H;2H,1H2
InChIKeyZJWOOODLXUITBD-UHFFFAOYSA-N
XLogP2.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.61
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Hydroquinone
CID 785
Phenol
CID 996
4-Chlorophenol
CID 4684
3-Chlorophenol
CID 7933
4-Iodophenol
CID 10894
4-Fluorophenol
CID 9732
2-Iodophenol
CID 10784
2-Fluorophenol
CID 9707
Mercufenol Chloride
CID 6999
Sodium phenoxide
CID 66602278
3-Fluorophenol
CID 9743
3-Iodophenol
CID 12272

Frequently Asked Questions

What is the IUPAC name of chloroethene;phenol?
The IUPAC name of chloroethene;phenol (CID 19792278) is chloroethene;phenol.
What is the SMILES notation for chloroethene;phenol?
The canonical SMILES for chloroethene;phenol is C=CCl.Oc1ccccc1.
What is the InChIKey of chloroethene;phenol?
The InChIKey is ZJWOOODLXUITBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.C2H3Cl/c7-6-4-2-1-3-5-6;1-2-3/h1-5,7H;2H,1H2.
What are the key properties of chloroethene;phenol?
chloroethene;phenol has a molecular weight of 156.61 g/mol, XLogP of 2.76, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloroethene;phenol is sourced from PubChem (CID 19792278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).