2-chloro-4-ethenoxyphenol

C8H7ClO2 — CID 141389518

IUPAC2-chloro-4-ethenoxyphenol
SMILESC=COc1ccc(O)c(Cl)c1
InChIInChI=1S/C8H7ClO2/c1-2-11-6-3-4-8(10)7(9)5-6/h2-5,10H,1H2
InChIKeyJESMKWHNCVGBAD-UHFFFAOYSA-N
MW170.59 g/mol
LogP2.57
Rot. Bonds2

About 2-chloro-4-ethenoxyphenol

2-chloro-4-ethenoxyphenol (PubChem CID 141389518) has the molecular formula C8H7ClO2 and a molecular weight of 170.59 g/mol. Its IUPAC name is 2-chloro-4-ethenoxyphenol.

Molecular Properties

Compound Name2-chloro-4-ethenoxyphenol
PubChem CID141389518
Molecular FormulaC8H7ClO2
Molecular Weight170.59 g/mol
Exact Mass170.01
IUPAC Name2-chloro-4-ethenoxyphenol
SMILESC=COc1ccc(O)c(Cl)c1
InChIInChI=1S/C8H7ClO2/c1-2-11-6-3-4-8(10)7(9)5-6/h2-5,10H,1H2
InChIKeyJESMKWHNCVGBAD-UHFFFAOYSA-N
XLogP2.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.59
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-chloro-4-ethenoxyphenol?
The IUPAC name of 2-chloro-4-ethenoxyphenol (CID 141389518) is 2-chloro-4-ethenoxyphenol.
What is the SMILES notation for 2-chloro-4-ethenoxyphenol?
The canonical SMILES for 2-chloro-4-ethenoxyphenol is C=COc1ccc(O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-ethenoxyphenol?
The InChIKey is JESMKWHNCVGBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClO2/c1-2-11-6-3-4-8(10)7(9)5-6/h2-5,10H,1H2.
What are the key properties of 2-chloro-4-ethenoxyphenol?
2-chloro-4-ethenoxyphenol has a molecular weight of 170.59 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethenoxyphenol is sourced from PubChem (CID 141389518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).