3-chloro-2,5-dimethoxyphenol

C8H9ClO3 — CID 84661730

IUPAC3-chloro-2,5-dimethoxyphenol
SMILESCOc1cc(O)c(OC)c(Cl)c1
InChIInChI=1S/C8H9ClO3/c1-11-5-3-6(9)8(12-2)7(10)4-5/h3-4,10H,1-2H3
InChIKeyHCTBWBGIEFPOBU-UHFFFAOYSA-N
MW188.61 g/mol
LogP2.06
Rot. Bonds2

About 3-chloro-2,5-dimethoxyphenol

3-chloro-2,5-dimethoxyphenol (PubChem CID 84661730) has the molecular formula C8H9ClO3 and a molecular weight of 188.61 g/mol. Its IUPAC name is 3-chloro-2,5-dimethoxyphenol.

Molecular Properties

Compound Name3-chloro-2,5-dimethoxyphenol
PubChem CID84661730
Molecular FormulaC8H9ClO3
Molecular Weight188.61 g/mol
Exact Mass188.02
IUPAC Name3-chloro-2,5-dimethoxyphenol
SMILESCOc1cc(O)c(OC)c(Cl)c1
InChIInChI=1S/C8H9ClO3/c1-11-5-3-6(9)8(12-2)7(10)4-5/h3-4,10H,1-2H3
InChIKeyHCTBWBGIEFPOBU-UHFFFAOYSA-N
XLogP2.06
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.61
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-chloro-2,5-dimethoxyphenol 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

2-bromo-3-chloro-5-methoxyphenol
CID 131293794
3-chloro-2-methanehydrazonoyl-5-methoxyphenol
CID 168530619
2-chloro-4-methoxy-6-methylphenol
CID 122163446
2-chloro-5-methoxy-3-methylphenol
CID 144544904
5-chloro-3,4-difluoro-2-methoxyphenol
CID 84665736
methyl 2-(3-chloro-2,5-dimethoxyphenyl)-2-hydroxyacetate
CID 117406054
2-amino-2-(3-chloro-2,5-dimethoxyphenyl)acetic acid
CID 83900024
2,4-dichloro-3-methoxy-6-nitrophenol;5-methoxy-2-nitrophenol
CID 158270733
3-(2-chlorophenyl)-5-methoxyphenol
CID 53220809
6-methoxy-2-methyl-1-benzofuran-4-ol
CID 23253009
1,5-dichloro-2,4-dimethoxy-3-methylbenzene
CID 58961638
4-chloro-3-methoxybenzene-1,2-diol
CID 21449636

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,5-dimethoxyphenol?
The IUPAC name of 3-chloro-2,5-dimethoxyphenol (CID 84661730) is 3-chloro-2,5-dimethoxyphenol.
What is the SMILES notation for 3-chloro-2,5-dimethoxyphenol?
The canonical SMILES for 3-chloro-2,5-dimethoxyphenol is COc1cc(O)c(OC)c(Cl)c1.
What is the InChIKey of 3-chloro-2,5-dimethoxyphenol?
The InChIKey is HCTBWBGIEFPOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO3/c1-11-5-3-6(9)8(12-2)7(10)4-5/h3-4,10H,1-2H3.
What are the key properties of 3-chloro-2,5-dimethoxyphenol?
3-chloro-2,5-dimethoxyphenol has a molecular weight of 188.61 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,5-dimethoxyphenol is sourced from PubChem (CID 84661730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).