1-chloro-3-(5-chloro-2-methylphenoxy)propan-2-ol

C10H12Cl2O2 — CID 112560845

IUPAC1-chloro-3-(5-chloro-2-methylphenoxy)propan-2-ol
SMILESCc1ccc(Cl)cc1OCC(O)CCl
InChIInChI=1S/C10H12Cl2O2/c1-7-2-3-8(12)4-10(7)14-6-9(13)5-11/h2-4,9,13H,5-6H2,1H3
InChIKeyGUAOXNPKGKJPFH-UHFFFAOYSA-N
MW235.11 g/mol
LogP2.63
Rot. Bonds4

About 1-chloro-3-(5-chloro-2-methylphenoxy)propan-2-ol

1-chloro-3-(5-chloro-2-methylphenoxy)propan-2-ol (PubChem CID 112560845) has the molecular formula C10H12Cl2O2 and a molecular weight of 235.11 g/mol. Its IUPAC name is 1-chloro-3-(5-chloro-2-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-(5-chloro-2-methylphenoxy)propan-2-ol
PubChem CID112560845
Molecular FormulaC10H12Cl2O2
Molecular Weight235.11 g/mol
Exact Mass234.02
IUPAC Name1-chloro-3-(5-chloro-2-methylphenoxy)propan-2-ol
SMILESCc1ccc(Cl)cc1OCC(O)CCl
InChIInChI=1S/C10H12Cl2O2/c1-7-2-3-8(12)4-10(7)14-6-9(13)5-11/h2-4,9,13H,5-6H2,1H3
InChIKeyGUAOXNPKGKJPFH-UHFFFAOYSA-N
XLogP2.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.11
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-chloro-3-(5-chloro-2-methylphenoxy)propan-2-ol 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

(2S)-1-chloro-3-(2,5-dimethylphenoxy)propan-2-ol
CID 101343601
1-(5-chloro-2-methylphenoxy)propan-2-ol
CID 21423645
4-chloro-1-(4-chloro-2-methylphenoxy)butan-2-ol
CID 13120346
1-(5-chloro-2-methylanilino)-3-(2-methylphenoxy)propan-2-ol
CID 60903378
(2S)-1-amino-3-(4-chloro-2-methylphenoxy)propan-2-ol
CID 9159069
1-(5-chloro-2-methylanilino)-3-(2-fluorophenoxy)propan-2-ol
CID 60903073
[(2S)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]azanium
CID 9159109
2-(5-chloro-2-methylphenoxy)acetamide
CID 65439903
[(2S)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-trimethylazanium
CID 6940353
1-(2,4-dichlorophenoxy)-3-(2-methylanilino)propan-2-ol
CID 60899964
(2R)-1-(tert-butylamino)-3-(4-chloro-2-methylphenoxy)propan-2-ol
CID 959161
(2R)-1-(2,5-dichlorophenoxy)propan-2-ol
CID 106933028

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(5-chloro-2-methylphenoxy)propan-2-ol?
The IUPAC name of 1-chloro-3-(5-chloro-2-methylphenoxy)propan-2-ol (CID 112560845) is 1-chloro-3-(5-chloro-2-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-chloro-3-(5-chloro-2-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-chloro-3-(5-chloro-2-methylphenoxy)propan-2-ol is Cc1ccc(Cl)cc1OCC(O)CCl.
What is the InChIKey of 1-chloro-3-(5-chloro-2-methylphenoxy)propan-2-ol?
The InChIKey is GUAOXNPKGKJPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2O2/c1-7-2-3-8(12)4-10(7)14-6-9(13)5-11/h2-4,9,13H,5-6H2,1H3.
What are the key properties of 1-chloro-3-(5-chloro-2-methylphenoxy)propan-2-ol?
1-chloro-3-(5-chloro-2-methylphenoxy)propan-2-ol has a molecular weight of 235.11 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(5-chloro-2-methylphenoxy)propan-2-ol is sourced from PubChem (CID 112560845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).