3-chloro-2-(2-hydroxypropyl)-5,6-dimethoxyphenol

C11H15ClO4 — CID 117369237

IUPAC3-chloro-2-(2-hydroxypropyl)-5,6-dimethoxyphenol
SMILESCOc1cc(Cl)c(CC(C)O)c(O)c1OC
InChIInChI=1S/C11H15ClO4/c1-6(13)4-7-8(12)5-9(15-2)11(16-3)10(7)14/h5-6,13-14H,4H2,1-3H3
InChIKeyXFEDONCZTKWPHI-UHFFFAOYSA-N
MW246.69 g/mol
LogP1.99
Rot. Bonds4

About 3-chloro-2-(2-hydroxypropyl)-5,6-dimethoxyphenol

3-chloro-2-(2-hydroxypropyl)-5,6-dimethoxyphenol (PubChem CID 117369237) has the molecular formula C11H15ClO4 and a molecular weight of 246.69 g/mol. Its IUPAC name is 3-chloro-2-(2-hydroxypropyl)-5,6-dimethoxyphenol.

Molecular Properties

Compound Name3-chloro-2-(2-hydroxypropyl)-5,6-dimethoxyphenol
PubChem CID117369237
Molecular FormulaC11H15ClO4
Molecular Weight246.69 g/mol
Exact Mass246.07
IUPAC Name3-chloro-2-(2-hydroxypropyl)-5,6-dimethoxyphenol
SMILESCOc1cc(Cl)c(CC(C)O)c(O)c1OC
InChIInChI=1S/C11H15ClO4/c1-6(13)4-7-8(12)5-9(15-2)11(16-3)10(7)14/h5-6,13-14H,4H2,1-3H3
InChIKeyXFEDONCZTKWPHI-UHFFFAOYSA-N
XLogP1.99
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.69
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-chloro-2-ethyl-3,4-dimethoxyphenyl)propan-2-ol
CID 117400677
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-(3,4-dimethoxy-2,6-dimethylphenyl)propan-2-ol
CID 117322324
6-chloro-2,3,4-trimethoxyphenol
CID 13442752
1-(2,6-dichloro-3,4,5-trimethoxyphenyl)propan-2-ol
CID 101127363
1-(3-chloro-2,5,6-trimethoxyphenyl)propan-2-amine
CID 117403670
1-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)propan-2-ol
CID 117374936
4-chloro-3-fluoro-6-(2-hydroxypropyl)-2-methoxyphenol
CID 117341360
5-chloro-2,3-dimethoxy-6-(pyrrolidin-2-ylmethyl)phenol
CID 117432090
3,4,5-trimethoxy-2-(2-methylpropyl)phenol
CID 11160802
1-(4-methoxy-2,3,6-trimethylphenyl)propan-2-ol
CID 117114494

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2-hydroxypropyl)-5,6-dimethoxyphenol?
The IUPAC name of 3-chloro-2-(2-hydroxypropyl)-5,6-dimethoxyphenol (CID 117369237) is 3-chloro-2-(2-hydroxypropyl)-5,6-dimethoxyphenol.
What is the SMILES notation for 3-chloro-2-(2-hydroxypropyl)-5,6-dimethoxyphenol?
The canonical SMILES for 3-chloro-2-(2-hydroxypropyl)-5,6-dimethoxyphenol is COc1cc(Cl)c(CC(C)O)c(O)c1OC.
What is the InChIKey of 3-chloro-2-(2-hydroxypropyl)-5,6-dimethoxyphenol?
The InChIKey is XFEDONCZTKWPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO4/c1-6(13)4-7-8(12)5-9(15-2)11(16-3)10(7)14/h5-6,13-14H,4H2,1-3H3.
What are the key properties of 3-chloro-2-(2-hydroxypropyl)-5,6-dimethoxyphenol?
3-chloro-2-(2-hydroxypropyl)-5,6-dimethoxyphenol has a molecular weight of 246.69 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2-hydroxypropyl)-5,6-dimethoxyphenol is sourced from PubChem (CID 117369237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).