1-(2,6-dichloro-3,4,5-trimethoxyphenyl)propan-2-ol

C12H16Cl2O4 — CID 101127363

IUPAC1-(2,6-dichloro-3,4,5-trimethoxyphenyl)propan-2-ol
SMILESCOc1c(Cl)c(CC(C)O)c(Cl)c(OC)c1OC
InChIInChI=1S/C12H16Cl2O4/c1-6(15)5-7-8(13)10(16-2)12(18-4)11(17-3)9(7)14/h6,15H,5H2,1-4H3
InChIKeyHRAODPUUVKCMAG-UHFFFAOYSA-N
MW295.16 g/mol
LogP2.94
Rot. Bonds5

About 1-(2,6-dichloro-3,4,5-trimethoxyphenyl)propan-2-ol

1-(2,6-dichloro-3,4,5-trimethoxyphenyl)propan-2-ol (PubChem CID 101127363) has the molecular formula C12H16Cl2O4 and a molecular weight of 295.16 g/mol. Its IUPAC name is 1-(2,6-dichloro-3,4,5-trimethoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(2,6-dichloro-3,4,5-trimethoxyphenyl)propan-2-ol
PubChem CID101127363
Molecular FormulaC12H16Cl2O4
Molecular Weight295.16 g/mol
Exact Mass294.04
IUPAC Name1-(2,6-dichloro-3,4,5-trimethoxyphenyl)propan-2-ol
SMILESCOc1c(Cl)c(CC(C)O)c(Cl)c(OC)c1OC
InChIInChI=1S/C12H16Cl2O4/c1-6(15)5-7-8(13)10(16-2)12(18-4)11(17-3)9(7)14/h6,15H,5H2,1-4H3
InChIKeyHRAODPUUVKCMAG-UHFFFAOYSA-N
XLogP2.94
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.16
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,6-dichloro-3,4,5-trimethoxyphenyl)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-chloro-5,6-dimethoxy-3-methylphenyl)propan-2-ol
CID 117363837
1-(6-chloro-2,3-dimethoxyphenyl)propan-2-ol
CID 117333392
1,3-dichloro-2-ethyl-4,5,6-trimethoxybenzene
CID 134197646
3-chloro-2-(2-hydroxypropyl)-5,6-dimethoxyphenol
CID 117369237
1-(6-chloro-2-ethyl-3,4-dimethoxyphenyl)propan-2-ol
CID 117400677
1-[2-methoxy-3,6-di(propan-2-yl)phenyl]propan-2-ol
CID 117379906
1-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)propan-2-ol
CID 117374936
1-(5-chloro-3-ethyl-2-methoxyphenyl)propan-2-ol
CID 117329700
1-(3,4-dimethoxy-2,6-dimethylphenyl)propan-2-ol
CID 117322324
1-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propan-2-ol
CID 117358952
1-(4-bromo-6-fluoro-2,3-dimethoxyphenyl)propan-2-ol
CID 117473006
1-(4-methoxy-2,3,6-trimethylphenyl)propan-2-ol
CID 117114494

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichloro-3,4,5-trimethoxyphenyl)propan-2-ol?
The IUPAC name of 1-(2,6-dichloro-3,4,5-trimethoxyphenyl)propan-2-ol (CID 101127363) is 1-(2,6-dichloro-3,4,5-trimethoxyphenyl)propan-2-ol.
What is the SMILES notation for 1-(2,6-dichloro-3,4,5-trimethoxyphenyl)propan-2-ol?
The canonical SMILES for 1-(2,6-dichloro-3,4,5-trimethoxyphenyl)propan-2-ol is COc1c(Cl)c(CC(C)O)c(Cl)c(OC)c1OC.
What is the InChIKey of 1-(2,6-dichloro-3,4,5-trimethoxyphenyl)propan-2-ol?
The InChIKey is HRAODPUUVKCMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2O4/c1-6(15)5-7-8(13)10(16-2)12(18-4)11(17-3)9(7)14/h6,15H,5H2,1-4H3.
What are the key properties of 1-(2,6-dichloro-3,4,5-trimethoxyphenyl)propan-2-ol?
1-(2,6-dichloro-3,4,5-trimethoxyphenyl)propan-2-ol has a molecular weight of 295.16 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichloro-3,4,5-trimethoxyphenyl)propan-2-ol is sourced from PubChem (CID 101127363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).