2-chloro-3-ethenylphenol

C8H7ClO — CID 22627876

IUPAC2-chloro-3-ethenylphenol
SMILESC=Cc1cccc(O)c1Cl
InChIInChI=1S/C8H7ClO/c1-2-6-4-3-5-7(10)8(6)9/h2-5,10H,1H2
InChIKeyLYGAMHFCINHRDA-UHFFFAOYSA-N
MW154.60 g/mol
LogP2.69
Rot. Bonds1

About 2-chloro-3-ethenylphenol

2-chloro-3-ethenylphenol (PubChem CID 22627876) has the molecular formula C8H7ClO and a molecular weight of 154.60 g/mol. Its IUPAC name is 2-chloro-3-ethenylphenol.

Molecular Properties

Compound Name2-chloro-3-ethenylphenol
PubChem CID22627876
Molecular FormulaC8H7ClO
Molecular Weight154.60 g/mol
Exact Mass154.02
IUPAC Name2-chloro-3-ethenylphenol
SMILESC=Cc1cccc(O)c1Cl
InChIInChI=1S/C8H7ClO/c1-2-6-4-3-5-7(10)8(6)9/h2-5,10H,1H2
InChIKeyLYGAMHFCINHRDA-UHFFFAOYSA-N
XLogP2.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.60
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-ethenylphenol?
The IUPAC name of 2-chloro-3-ethenylphenol (CID 22627876) is 2-chloro-3-ethenylphenol.
What is the SMILES notation for 2-chloro-3-ethenylphenol?
The canonical SMILES for 2-chloro-3-ethenylphenol is C=Cc1cccc(O)c1Cl.
What is the InChIKey of 2-chloro-3-ethenylphenol?
The InChIKey is LYGAMHFCINHRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClO/c1-2-6-4-3-5-7(10)8(6)9/h2-5,10H,1H2.
What are the key properties of 2-chloro-3-ethenylphenol?
2-chloro-3-ethenylphenol has a molecular weight of 154.60 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-ethenylphenol is sourced from PubChem (CID 22627876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).