2-chloro-4-(2,2-dichloroethenyl)phenol

C8H5Cl3O — CID 14074061

IUPAC2-chloro-4-(2,2-dichloroethenyl)phenol
SMILESOc1ccc(C=C(Cl)Cl)cc1Cl
InChIInChI=1S/C8H5Cl3O/c9-6-3-5(4-8(10)11)1-2-7(6)12/h1-4,12H
InChIKeyVMVNHIYTBYPWPH-UHFFFAOYSA-N
MW223.49 g/mol
LogP3.82
Rot. Bonds1

About 2-chloro-4-(2,2-dichloroethenyl)phenol

2-chloro-4-(2,2-dichloroethenyl)phenol (PubChem CID 14074061) has the molecular formula C8H5Cl3O and a molecular weight of 223.49 g/mol. Its IUPAC name is 2-chloro-4-(2,2-dichloroethenyl)phenol.

Molecular Properties

Compound Name2-chloro-4-(2,2-dichloroethenyl)phenol
PubChem CID14074061
Molecular FormulaC8H5Cl3O
Molecular Weight223.49 g/mol
Exact Mass221.94
IUPAC Name2-chloro-4-(2,2-dichloroethenyl)phenol
SMILESOc1ccc(C=C(Cl)Cl)cc1Cl
InChIInChI=1S/C8H5Cl3O/c9-6-3-5(4-8(10)11)1-2-7(6)12/h1-4,12H
InChIKeyVMVNHIYTBYPWPH-UHFFFAOYSA-N
XLogP3.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.49
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-chloro-4-(2,2-dichloroethenyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-chloro-4-hydroxyphenyl)-2-phenylprop-2-enoic acid
CID 76914513
2-chloro-4-[(E)-3-hydroxyprop-1-enyl]phenol
CID 12641151
4-(2,2-dichloroethenyl)-2-ethoxyphenol
CID 87569986
(E)-3-(3-chloro-4-hydroxyphenyl)prop-2-enamide
CID 131243997
1,3-dichlorobenzene;2,4-dichlorophenol
CID 141496393
5-[(3-chloro-4-hydroxyphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168600374
(3E,5Z)-3,5-bis[(3-chloro-4-hydroxyphenyl)methylidene]thian-4-one
CID 52771945
prop-2-enyl (Z)-3-(3-chloro-4-hydroxyphenyl)-2-cyanoprop-2-enoate
CID 47448676
(Z)-3-(3-chloro-4-hydroxyphenyl)-2-(2,5-dichlorophenyl)sulfonylprop-2-enenitrile
CID 52771899
(Z)-3-(3-chloro-4-hydroxyphenyl)-2-(thiophene-2-carbonyl)prop-2-enenitrile
CID 47448695
(2E)-2-[(3-chloro-4-hydroxyphenyl)methylidene]-4-hydroxy-3H-inden-1-one
CID 52771967
(Z)-3-(3-chloro-4-hydroxyphenyl)-2-(4-methoxy-3-methylphenyl)prop-2-enoic acid
CID 83952301

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2,2-dichloroethenyl)phenol?
The IUPAC name of 2-chloro-4-(2,2-dichloroethenyl)phenol (CID 14074061) is 2-chloro-4-(2,2-dichloroethenyl)phenol.
What is the SMILES notation for 2-chloro-4-(2,2-dichloroethenyl)phenol?
The canonical SMILES for 2-chloro-4-(2,2-dichloroethenyl)phenol is Oc1ccc(C=C(Cl)Cl)cc1Cl.
What is the InChIKey of 2-chloro-4-(2,2-dichloroethenyl)phenol?
The InChIKey is VMVNHIYTBYPWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl3O/c9-6-3-5(4-8(10)11)1-2-7(6)12/h1-4,12H.
What are the key properties of 2-chloro-4-(2,2-dichloroethenyl)phenol?
2-chloro-4-(2,2-dichloroethenyl)phenol has a molecular weight of 223.49 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2,2-dichloroethenyl)phenol is sourced from PubChem (CID 14074061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).