6-chloro-2,3,4-trimethoxyphenol

C9H11ClO4 — CID 13442752

IUPAC6-chloro-2,3,4-trimethoxyphenol
SMILESCOc1cc(Cl)c(O)c(OC)c1OC
InChIInChI=1S/C9H11ClO4/c1-12-6-4-5(10)7(11)9(14-3)8(6)13-2/h4,11H,1-3H3
InChIKeyXBKIYVFHLPNALW-UHFFFAOYSA-N
MW218.64 g/mol
LogP2.07
Rot. Bonds3

About 6-chloro-2,3,4-trimethoxyphenol

6-chloro-2,3,4-trimethoxyphenol (PubChem CID 13442752) has the molecular formula C9H11ClO4 and a molecular weight of 218.64 g/mol. Its IUPAC name is 6-chloro-2,3,4-trimethoxyphenol.

Molecular Properties

Compound Name6-chloro-2,3,4-trimethoxyphenol
PubChem CID13442752
Molecular FormulaC9H11ClO4
Molecular Weight218.64 g/mol
Exact Mass218.03
IUPAC Name6-chloro-2,3,4-trimethoxyphenol
SMILESCOc1cc(Cl)c(O)c(OC)c1OC
InChIInChI=1S/C9H11ClO4/c1-12-6-4-5(10)7(11)9(14-3)8(6)13-2/h4,11H,1-3H3
InChIKeyXBKIYVFHLPNALW-UHFFFAOYSA-N
XLogP2.07
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.64
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-2,3,4-trimethoxyphenol 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

6-chloro-2-(isocyanatomethyl)-3,4-dimethoxyphenol
CID 117361033
3-chloro-2-(2-hydroxypropyl)-5,6-dimethoxyphenol
CID 117369237
5-chloro-7,8-dimethoxynaphthalen-1-ol
CID 86132607
(3-chloro-4-hydroxy-5-methoxyphenyl)boronic acid
CID 53216587
2-amino-2-(6-chloro-2,3,4-trimethoxyphenyl)ethanol
CID 117409035
3-(6-chloro-2,3,4-trimethoxyphenyl)-2,2-dimethylpropanoic acid
CID 117487561
methyl 2-(6-chloro-2,3,4-trimethoxyphenyl)-2-hydroxyacetate
CID 117469723
2-amino-2-(6-chloro-2,3,4-trimethoxyphenyl)acetic acid
CID 117441313
3-amino-1-(6-chloro-2,3,4-trimethoxyphenyl)propan-1-one
CID 117436956
2,4-dichloro-6-[[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 2796783
2-hydroxy-3,4,5-trimethoxy-N-methylbenzamide
CID 141383481
2,3,4-trimethoxy-6-prop-2-enylphenol
CID 44719618

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,3,4-trimethoxyphenol?
The IUPAC name of 6-chloro-2,3,4-trimethoxyphenol (CID 13442752) is 6-chloro-2,3,4-trimethoxyphenol.
What is the SMILES notation for 6-chloro-2,3,4-trimethoxyphenol?
The canonical SMILES for 6-chloro-2,3,4-trimethoxyphenol is COc1cc(Cl)c(O)c(OC)c1OC.
What is the InChIKey of 6-chloro-2,3,4-trimethoxyphenol?
The InChIKey is XBKIYVFHLPNALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO4/c1-12-6-4-5(10)7(11)9(14-3)8(6)13-2/h4,11H,1-3H3.
What are the key properties of 6-chloro-2,3,4-trimethoxyphenol?
6-chloro-2,3,4-trimethoxyphenol has a molecular weight of 218.64 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,3,4-trimethoxyphenol is sourced from PubChem (CID 13442752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).