2,4-dichloro-3,5-dimethoxyphenol

C8H8Cl2O3 — CID 154103285

IUPAC2,4-dichloro-3,5-dimethoxyphenol
SMILESCOc1cc(O)c(Cl)c(OC)c1Cl
InChIInChI=1S/C8H8Cl2O3/c1-12-5-3-4(11)6(9)8(13-2)7(5)10/h3,11H,1-2H3
InChIKeySUOPNVIGVNMVEH-UHFFFAOYSA-N
MW223.05 g/mol
LogP2.72
Rot. Bonds2

About 2,4-dichloro-3,5-dimethoxyphenol

2,4-dichloro-3,5-dimethoxyphenol (PubChem CID 154103285) has the molecular formula C8H8Cl2O3 and a molecular weight of 223.05 g/mol. Its IUPAC name is 2,4-dichloro-3,5-dimethoxyphenol.

Molecular Properties

Compound Name2,4-dichloro-3,5-dimethoxyphenol
PubChem CID154103285
Molecular FormulaC8H8Cl2O3
Molecular Weight223.05 g/mol
Exact Mass221.99
IUPAC Name2,4-dichloro-3,5-dimethoxyphenol
SMILESCOc1cc(O)c(Cl)c(OC)c1Cl
InChIInChI=1S/C8H8Cl2O3/c1-12-5-3-4(11)6(9)8(13-2)7(5)10/h3,11H,1-2H3
InChIKeySUOPNVIGVNMVEH-UHFFFAOYSA-N
XLogP2.72
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.05
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-6-hydroxy-2,4-dimethoxybenzaldehyde
CID 12652203
4-chloro-5-methoxybenzene-1,3-diol
CID 130033872
4-chloro-3,5-dimethoxy-2-(methylaminomethyl)phenol
CID 84795051
2-chloro-3-(1-hydroxycyclopropyl)-4,5-dimethoxyphenol
CID 117363638
1-(2-chloro-6-hydroxy-3,4-dimethoxyphenyl)ethanone
CID 84693978
3-(2-amino-1-hydroxyethyl)-2-chloro-4,5-dimethoxyphenol
CID 117372422
3-(2-chloro-3-hydroxy-5,6-dimethoxyphenyl)propanoic acid
CID 117406006
3-[(1-aminocyclopropyl)methyl]-2-chloro-4,5-dimethoxyphenol
CID 117397604
2,5-dimethoxy-3,4-dimethylphenol
CID 84658444
3-chloro-2-(1-hydroxycyclopropyl)-4,5-dimethoxyphenol
CID 117363639
(3,4-dichloro-5-methoxyphenyl)boronic acid
CID 163201370
2-(1-aminopropan-2-yl)-3-chloro-4,5-dimethoxyphenol
CID 117366706

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3,5-dimethoxyphenol?
The IUPAC name of 2,4-dichloro-3,5-dimethoxyphenol (CID 154103285) is 2,4-dichloro-3,5-dimethoxyphenol.
What is the SMILES notation for 2,4-dichloro-3,5-dimethoxyphenol?
The canonical SMILES for 2,4-dichloro-3,5-dimethoxyphenol is COc1cc(O)c(Cl)c(OC)c1Cl.
What is the InChIKey of 2,4-dichloro-3,5-dimethoxyphenol?
The InChIKey is SUOPNVIGVNMVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2O3/c1-12-5-3-4(11)6(9)8(13-2)7(5)10/h3,11H,1-2H3.
What are the key properties of 2,4-dichloro-3,5-dimethoxyphenol?
2,4-dichloro-3,5-dimethoxyphenol has a molecular weight of 223.05 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3,5-dimethoxyphenol is sourced from PubChem (CID 154103285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).