2,5-dichloro-4-(chloromethyl)phenol

C7H5Cl3O — CID 130056378

IUPAC2,5-dichloro-4-(chloromethyl)phenol
SMILESOc1cc(Cl)c(CCl)cc1Cl
InChIInChI=1S/C7H5Cl3O/c8-3-4-1-6(10)7(11)2-5(4)9/h1-2,11H,3H2
InChIKeyJYNXOCCLOQMUGV-UHFFFAOYSA-N
MW211.47 g/mol
LogP3.44
Rot. Bonds1

About 2,5-dichloro-4-(chloromethyl)phenol

2,5-dichloro-4-(chloromethyl)phenol (PubChem CID 130056378) has the molecular formula C7H5Cl3O and a molecular weight of 211.47 g/mol. Its IUPAC name is 2,5-dichloro-4-(chloromethyl)phenol.

Molecular Properties

Compound Name2,5-dichloro-4-(chloromethyl)phenol
PubChem CID130056378
Molecular FormulaC7H5Cl3O
Molecular Weight211.47 g/mol
Exact Mass209.94
IUPAC Name2,5-dichloro-4-(chloromethyl)phenol
SMILESOc1cc(Cl)c(CCl)cc1Cl
InChIInChI=1S/C7H5Cl3O/c8-3-4-1-6(10)7(11)2-5(4)9/h1-2,11H,3H2
InChIKeyJYNXOCCLOQMUGV-UHFFFAOYSA-N
XLogP3.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.47
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-chloro-4-(chloromethyl)-2-methoxyphenol
CID 131191143
2-chloro-5-(hydroxymethyl)benzene-1,4-diol
CID 55253170
2,5-dichloro-4-(1,3-thiazol-2-ylmethyl)phenol
CID 107663379
azane;1,4-dichloro-2-(chloromethyl)benzene
CID 174958411
2,5-dichloro-4-(4-chlorobut-1-ynyl)phenol
CID 170467699
2-chloro-3-(chloromethyl)naphthalene
CID 15205140
2-chloro-5-fluorobenzene-1,4-diol
CID 45119169
2,5-dichloro-4-fluorophenol
CID 3535760
4-butyl-6-chlorobenzene-1,3-diol
CID 23195020
4-Bromo-2,5-dichlorophenol sodium salt
CID 6335915
2,6-dichloro-4-[2-(2,4-dichloro-5-hydroxyphenyl)ethyl]phenol
CID 166436398
4-chloro-6-[[3-[(5-chloro-2,4-dihydroxyphenyl)methyl]-2-hydroxy-5-methylphenyl]methyl]benzene-1,3-diol
CID 15095946

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-(chloromethyl)phenol?
The IUPAC name of 2,5-dichloro-4-(chloromethyl)phenol (CID 130056378) is 2,5-dichloro-4-(chloromethyl)phenol.
What is the SMILES notation for 2,5-dichloro-4-(chloromethyl)phenol?
The canonical SMILES for 2,5-dichloro-4-(chloromethyl)phenol is Oc1cc(Cl)c(CCl)cc1Cl.
What is the InChIKey of 2,5-dichloro-4-(chloromethyl)phenol?
The InChIKey is JYNXOCCLOQMUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl3O/c8-3-4-1-6(10)7(11)2-5(4)9/h1-2,11H,3H2.
What are the key properties of 2,5-dichloro-4-(chloromethyl)phenol?
2,5-dichloro-4-(chloromethyl)phenol has a molecular weight of 211.47 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-(chloromethyl)phenol is sourced from PubChem (CID 130056378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).