1,3-bis[2-(chloromethyl)phenoxy]propan-2-ol

C17H18Cl2O3 — CID 11336770

IUPAC1,3-bis[2-(chloromethyl)phenoxy]propan-2-ol
SMILESOC(COc1ccccc1CCl)COc1ccccc1CCl
InChIInChI=1S/C17H18Cl2O3/c18-9-13-5-1-3-7-16(13)21-11-15(20)12-22-17-8-4-2-6-14(17)10-19/h1-8,15,20H,9-12H2
InChIKeyIHJBADKKLTUCLY-UHFFFAOYSA-N
MW341.23 g/mol
LogP3.98
Rot. Bonds8

About 1,3-bis[2-(chloromethyl)phenoxy]propan-2-ol

1,3-bis[2-(chloromethyl)phenoxy]propan-2-ol (PubChem CID 11336770) has the molecular formula C17H18Cl2O3 and a molecular weight of 341.23 g/mol. Its IUPAC name is 1,3-bis[2-(chloromethyl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1,3-bis[2-(chloromethyl)phenoxy]propan-2-ol
PubChem CID11336770
Molecular FormulaC17H18Cl2O3
Molecular Weight341.23 g/mol
Exact Mass340.06
IUPAC Name1,3-bis[2-(chloromethyl)phenoxy]propan-2-ol
SMILESOC(COc1ccccc1CCl)COc1ccccc1CCl
InChIInChI=1S/C17H18Cl2O3/c18-9-13-5-1-3-7-16(13)21-11-15(20)12-22-17-8-4-2-6-14(17)10-19/h1-8,15,20H,9-12H2
InChIKeyIHJBADKKLTUCLY-UHFFFAOYSA-N
XLogP3.98
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.23
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,3-bis[2-(chloromethyl)phenoxy]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

1-[2-(aminomethyl)phenoxy]-3-(2-fluorophenoxy)propan-2-ol
CID 43531496
1-(chloromethyl)-2-[(E)-4-[2-(chloromethyl)phenoxy]but-2-enoxy]benzene
CID 101421270
1-(2-bromoethoxy)-2-(chloromethyl)benzene
CID 155667771
(2R)-3-(2-propylphenoxy)propane-1,2-diol
CID 139198404
1-[2-[(cyclopropylamino)methyl]phenoxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106988475
1-(2-ethylphenoxy)-3-(methylamino)propan-2-ol
CID 43173825
(2R)-1-chloro-3-(2-phenylphenoxy)propan-2-ol
CID 124571669
1-(chloromethyl)-2-(4-methylpentoxy)benzene
CID 29004036
1-[2-(aminomethyl)phenoxy]-3-(2-cyclopropylethoxy)propan-2-ol
CID 106200278
1-[2-[4-(2-chlorophenyl)butyl]phenoxy]-3-(dimethylamino)propan-2-ol;hydrochloride
CID 19424022
1-(chloromethyl)-2-[1-[2-(chloromethyl)phenoxy]ethoxy]benzene
CID 141264907
1-(chloromethyl)-2-(4-methoxybutoxy)benzene
CID 104648077

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[2-(chloromethyl)phenoxy]propan-2-ol?
The IUPAC name of 1,3-bis[2-(chloromethyl)phenoxy]propan-2-ol (CID 11336770) is 1,3-bis[2-(chloromethyl)phenoxy]propan-2-ol.
What is the SMILES notation for 1,3-bis[2-(chloromethyl)phenoxy]propan-2-ol?
The canonical SMILES for 1,3-bis[2-(chloromethyl)phenoxy]propan-2-ol is OC(COc1ccccc1CCl)COc1ccccc1CCl.
What is the InChIKey of 1,3-bis[2-(chloromethyl)phenoxy]propan-2-ol?
The InChIKey is IHJBADKKLTUCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2O3/c18-9-13-5-1-3-7-16(13)21-11-15(20)12-22-17-8-4-2-6-14(17)10-19/h1-8,15,20H,9-12H2.
What are the key properties of 1,3-bis[2-(chloromethyl)phenoxy]propan-2-ol?
1,3-bis[2-(chloromethyl)phenoxy]propan-2-ol has a molecular weight of 341.23 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[2-(chloromethyl)phenoxy]propan-2-ol is sourced from PubChem (CID 11336770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).