3,5-dichloro-2-(chloromethyl)phenol

C7H5Cl3O — CID 131028428

IUPAC3,5-dichloro-2-(chloromethyl)phenol
SMILESOc1cc(Cl)cc(Cl)c1CCl
InChIInChI=1S/C7H5Cl3O/c8-3-5-6(10)1-4(9)2-7(5)11/h1-2,11H,3H2
InChIKeyZJRXUQUZXZQUBJ-UHFFFAOYSA-N
MW211.47 g/mol
LogP3.44
Rot. Bonds1

About 3,5-dichloro-2-(chloromethyl)phenol

3,5-dichloro-2-(chloromethyl)phenol (PubChem CID 131028428) has the molecular formula C7H5Cl3O and a molecular weight of 211.47 g/mol. Its IUPAC name is 3,5-dichloro-2-(chloromethyl)phenol.

Molecular Properties

Compound Name3,5-dichloro-2-(chloromethyl)phenol
PubChem CID131028428
Molecular FormulaC7H5Cl3O
Molecular Weight211.47 g/mol
Exact Mass209.94
IUPAC Name3,5-dichloro-2-(chloromethyl)phenol
SMILESOc1cc(Cl)cc(Cl)c1CCl
InChIInChI=1S/C7H5Cl3O/c8-3-5-6(10)1-4(9)2-7(5)11/h1-2,11H,3H2
InChIKeyZJRXUQUZXZQUBJ-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

1,3,5-trichloro-2-[3-chloro-2-(chloromethyl)phenyl]benzene
CID 134617206
(2,4-dichloro-6-fluorophenyl)methanol
CID 118642652
3,5-dichloro-2-(1-hydroxyethyl)phenol
CID 130032494
1,3,5-trichloro-2-(2,3-dichloropropyl)benzene
CID 21327918
3,5,7-trichloro-2-hydroxycyclohepta-2,4,6-trien-1-one
CID 101110060
3,5-dichloro-2-propoxyphenol
CID 82267104
2,5-dichloro-4-(chloromethyl)phenol
CID 130056378
5-chloro-2-(2,4-dichlorophenyl)phenol
CID 174783468
phenol;2,3,5-trichlorophenol
CID 172810083
3,5-dichloro-2-(2-chloroethyl)benzamide
CID 151852150
2-chlorophenol;2,4,6-trichlorophenol
CID 158985831
1,5-dibromo-3-chloro-2-(chloromethyl)benzene
CID 171009724

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-(chloromethyl)phenol?
The IUPAC name of 3,5-dichloro-2-(chloromethyl)phenol (CID 131028428) is 3,5-dichloro-2-(chloromethyl)phenol.
What is the SMILES notation for 3,5-dichloro-2-(chloromethyl)phenol?
The canonical SMILES for 3,5-dichloro-2-(chloromethyl)phenol is Oc1cc(Cl)cc(Cl)c1CCl.
What is the InChIKey of 3,5-dichloro-2-(chloromethyl)phenol?
The InChIKey is ZJRXUQUZXZQUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl3O/c8-3-5-6(10)1-4(9)2-7(5)11/h1-2,11H,3H2.
What are the key properties of 3,5-dichloro-2-(chloromethyl)phenol?
3,5-dichloro-2-(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 3,5-dichloro-2-(chloromethyl)phenol is sourced from PubChem (CID 131028428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).