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

C13H9Cl3O2 — CID 23656591

IUPAC5-(chloromethyl)-2-(2,4-dichlorophenoxy)phenol
SMILESOc1cc(CCl)ccc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H9Cl3O2/c14-7-8-1-3-13(11(17)5-8)18-12-4-2-9(15)6-10(12)16/h1-6,17H,7H2
InChIKeyXVCALTYAVXDHNO-UHFFFAOYSA-N
MW303.57 g/mol
LogP5.23
Rot. Bonds3

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

5-(chloromethyl)-2-(2,4-dichlorophenoxy)phenol (PubChem CID 23656591) has the molecular formula C13H9Cl3O2 and a molecular weight of 303.57 g/mol. Its IUPAC name is 5-(chloromethyl)-2-(2,4-dichlorophenoxy)phenol.

Molecular Properties

Compound Name5-(chloromethyl)-2-(2,4-dichlorophenoxy)phenol
PubChem CID23656591
Molecular FormulaC13H9Cl3O2
Molecular Weight303.57 g/mol
Exact Mass301.97
IUPAC Name5-(chloromethyl)-2-(2,4-dichlorophenoxy)phenol
SMILESOc1cc(CCl)ccc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H9Cl3O2/c14-7-8-1-3-13(11(17)5-8)18-12-4-2-9(15)6-10(12)16/h1-6,17H,7H2
InChIKeyXVCALTYAVXDHNO-UHFFFAOYSA-N
XLogP5.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.57
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(chloromethyl)-2-(2,4-dichlorophenoxy)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

2-(2,4-dichlorophenoxy)-5-ethylphenol
CID 25023958
5-butyl-2-(2,4-dichlorophenoxy)phenol
CID 25023960
5-chloro-2-(2,4-dichlorophenoxy)phenol;ethanol
CID 67724550
5-chloro-2-(2,4-dichlorophenoxy)phenol;phosphoric acid
CID 87201530
5-chloro-2-(2,4-dichlorophenoxy)phenol;phosphoric acid
CID 66601504
5-[(cyclohexylamino)methyl]-2-(2,4-dichlorophenoxy)phenol
CID 71733465
1-[4-(2,4-dichlorophenoxy)-3-hydroxyphenyl]propan-1-one
CID 71733548
5-chloro-2-(2,4-dichlorophenoxy)phenol;2-methylprop-2-enoic acid
CID 67533473
2-(2,4-dichlorophenoxy)-5-[(4-phenyltriazol-1-yl)methyl]phenol
CID 71733292
5-chloro-2-[2-chloro-4-(chloromethyl)phenoxy]-1,3-dimethylbenzene
CID 81152086
[4-(2,4-dichlorophenoxy)-3-fluorophenyl]methanamine
CID 28966222
2-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]acetic acid
CID 13409359

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-(2,4-dichlorophenoxy)phenol?
The IUPAC name of 5-(chloromethyl)-2-(2,4-dichlorophenoxy)phenol (CID 23656591) is 5-(chloromethyl)-2-(2,4-dichlorophenoxy)phenol.
What is the SMILES notation for 5-(chloromethyl)-2-(2,4-dichlorophenoxy)phenol?
The canonical SMILES for 5-(chloromethyl)-2-(2,4-dichlorophenoxy)phenol is Oc1cc(CCl)ccc1Oc1ccc(Cl)cc1Cl.
What is the InChIKey of 5-(chloromethyl)-2-(2,4-dichlorophenoxy)phenol?
The InChIKey is XVCALTYAVXDHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3O2/c14-7-8-1-3-13(11(17)5-8)18-12-4-2-9(15)6-10(12)16/h1-6,17H,7H2.
What are the key properties of 5-(chloromethyl)-2-(2,4-dichlorophenoxy)phenol?
5-(chloromethyl)-2-(2,4-dichlorophenoxy)phenol has a molecular weight of 303.57 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-(2,4-dichlorophenoxy)phenol is sourced from PubChem (CID 23656591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).