4,5-dichloro-2-methoxyphenol

C7H6Cl2O2 — CID 17160

IUPAC4,5-dichloro-2-methoxyphenol
SMILESCOc1cc(Cl)c(Cl)cc1O
InChIInChI=1S/C7H6Cl2O2/c1-11-7-3-5(9)4(8)2-6(7)10/h2-3,10H,1H3
InChIKeyHAAFFTHBNFBVKY-UHFFFAOYSA-N
MW193.03 g/mol
LogP2.71
Rot. Bonds1

About 4,5-dichloro-2-methoxyphenol

4,5-dichloro-2-methoxyphenol (PubChem CID 17160) has the molecular formula C7H6Cl2O2 and a molecular weight of 193.03 g/mol. Its IUPAC name is 4,5-dichloro-2-methoxyphenol.

Molecular Properties

Compound Name4,5-dichloro-2-methoxyphenol
PubChem CID17160
Molecular FormulaC7H6Cl2O2
Molecular Weight193.03 g/mol
Exact Mass191.97
IUPAC Name4,5-dichloro-2-methoxyphenol
SMILESCOc1cc(Cl)c(Cl)cc1O
InChIInChI=1S/C7H6Cl2O2/c1-11-7-3-5(9)4(8)2-6(7)10/h2-3,10H,1H3
InChIKeyHAAFFTHBNFBVKY-UHFFFAOYSA-N
XLogP2.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.03
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-methoxyphenol?
The IUPAC name of 4,5-dichloro-2-methoxyphenol (CID 17160) is 4,5-dichloro-2-methoxyphenol.
What is the SMILES notation for 4,5-dichloro-2-methoxyphenol?
The canonical SMILES for 4,5-dichloro-2-methoxyphenol is COc1cc(Cl)c(Cl)cc1O.
What is the InChIKey of 4,5-dichloro-2-methoxyphenol?
The InChIKey is HAAFFTHBNFBVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2O2/c1-11-7-3-5(9)4(8)2-6(7)10/h2-3,10H,1H3.
What are the key properties of 4,5-dichloro-2-methoxyphenol?
4,5-dichloro-2-methoxyphenol has a molecular weight of 193.03 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-methoxyphenol is sourced from PubChem (CID 17160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).