1-(2,6-dichlorophenyl)-1-(methoxymethoxy)-3-methylbutan-2-ol

C13H18Cl2O3 — CID 137375637

IUPAC1-(2,6-dichlorophenyl)-1-(methoxymethoxy)-3-methylbutan-2-ol
SMILESCOCOC(c1c(Cl)cccc1Cl)C(O)C(C)C
InChIInChI=1S/C13H18Cl2O3/c1-8(2)12(16)13(18-7-17-3)11-9(14)5-4-6-10(11)15/h4-6,8,12-13,16H,7H2,1-3H3
InChIKeyJBYNWWZHWKODPS-UHFFFAOYSA-N
MW293.19 g/mol
LogP3.67
Rot. Bonds6

About 1-(2,6-dichlorophenyl)-1-(methoxymethoxy)-3-methylbutan-2-ol

1-(2,6-dichlorophenyl)-1-(methoxymethoxy)-3-methylbutan-2-ol (PubChem CID 137375637) has the molecular formula C13H18Cl2O3 and a molecular weight of 293.19 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-1-(methoxymethoxy)-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-1-(methoxymethoxy)-3-methylbutan-2-ol
PubChem CID137375637
Molecular FormulaC13H18Cl2O3
Molecular Weight293.19 g/mol
Exact Mass292.06
IUPAC Name1-(2,6-dichlorophenyl)-1-(methoxymethoxy)-3-methylbutan-2-ol
SMILESCOCOC(c1c(Cl)cccc1Cl)C(O)C(C)C
InChIInChI=1S/C13H18Cl2O3/c1-8(2)12(16)13(18-7-17-3)11-9(14)5-4-6-10(11)15/h4-6,8,12-13,16H,7H2,1-3H3
InChIKeyJBYNWWZHWKODPS-UHFFFAOYSA-N
XLogP3.67
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.19
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-(2,6-dichlorophenyl)-1-(methoxymethoxy)-3-methylbutan-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-(2-chlorophenyl)-1-(methoxymethoxy)propan-2-ol
CID 147232320
(1S,2S)-1-(2-chlorophenyl)-1-(methoxymethoxy)propan-2-ol
CID 137375754
(1R,2R)-1-(3,4-dichlorophenyl)-1-(methoxymethoxy)propan-2-ol
CID 137375691
[(1S,2S)-1-(2,6-dichlorophenyl)-1-(methoxymethoxy)butan-2-yl] sulfamate
CID 139319432
(2,6-dichlorophenyl)-ethoxymethanol
CID 22954642
(1R,2R)-1-(2,6-dichlorophenyl)-1-methoxyhexan-2-ol
CID 137375812
(1R,2S)-1-amino-1-(2-chloro-6-methylphenyl)-3-methylbutan-2-ol
CID 131371288
1-[(1R,2R)-1-(2-chlorophenyl)-1-(methoxymethoxy)propan-2-yl]oxy-N-methylethenamine
CID 90433394
(1S,2R)-1-amino-1-(2-chloro-6-methylphenyl)-3-methylbutan-2-ol;hydrochloride
CID 171269988
1-(2-chloro-6-methoxyphenyl)-3-methylbutan-1-ol
CID 104817046
(1R,2R)-1-(2,6-dichlorophenyl)-2-hydroxypropan-1-olate
CID 144705772
1-(2,6-dichlorophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 65150451

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-1-(methoxymethoxy)-3-methylbutan-2-ol?
The IUPAC name of 1-(2,6-dichlorophenyl)-1-(methoxymethoxy)-3-methylbutan-2-ol (CID 137375637) is 1-(2,6-dichlorophenyl)-1-(methoxymethoxy)-3-methylbutan-2-ol.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-1-(methoxymethoxy)-3-methylbutan-2-ol?
The canonical SMILES for 1-(2,6-dichlorophenyl)-1-(methoxymethoxy)-3-methylbutan-2-ol is COCOC(c1c(Cl)cccc1Cl)C(O)C(C)C.
What is the InChIKey of 1-(2,6-dichlorophenyl)-1-(methoxymethoxy)-3-methylbutan-2-ol?
The InChIKey is JBYNWWZHWKODPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2O3/c1-8(2)12(16)13(18-7-17-3)11-9(14)5-4-6-10(11)15/h4-6,8,12-13,16H,7H2,1-3H3.
What are the key properties of 1-(2,6-dichlorophenyl)-1-(methoxymethoxy)-3-methylbutan-2-ol?
1-(2,6-dichlorophenyl)-1-(methoxymethoxy)-3-methylbutan-2-ol has a molecular weight of 293.19 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-1-(methoxymethoxy)-3-methylbutan-2-ol is sourced from PubChem (CID 137375637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).