2,4-dichloro-3-methoxy-6-methylphenol

C8H8Cl2O2 — CID 59082525

IUPAC2,4-dichloro-3-methoxy-6-methylphenol
SMILESCOc1c(Cl)cc(C)c(O)c1Cl
InChIInChI=1S/C8H8Cl2O2/c1-4-3-5(9)8(12-2)6(10)7(4)11/h3,11H,1-2H3
InChIKeySYJZEZOLDMTEEB-UHFFFAOYSA-N
MW207.06 g/mol
LogP3.02
Rot. Bonds1

About 2,4-dichloro-3-methoxy-6-methylphenol

2,4-dichloro-3-methoxy-6-methylphenol (PubChem CID 59082525) has the molecular formula C8H8Cl2O2 and a molecular weight of 207.06 g/mol. Its IUPAC name is 2,4-dichloro-3-methoxy-6-methylphenol.

Molecular Properties

Compound Name2,4-dichloro-3-methoxy-6-methylphenol
PubChem CID59082525
Molecular FormulaC8H8Cl2O2
Molecular Weight207.06 g/mol
Exact Mass205.99
IUPAC Name2,4-dichloro-3-methoxy-6-methylphenol
SMILESCOc1c(Cl)cc(C)c(O)c1Cl
InChIInChI=1S/C8H8Cl2O2/c1-4-3-5(9)8(12-2)6(10)7(4)11/h3,11H,1-2H3
InChIKeySYJZEZOLDMTEEB-UHFFFAOYSA-N
XLogP3.02
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.06
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-methoxy-6-methylphenol?
The IUPAC name of 2,4-dichloro-3-methoxy-6-methylphenol (CID 59082525) is 2,4-dichloro-3-methoxy-6-methylphenol.
What is the SMILES notation for 2,4-dichloro-3-methoxy-6-methylphenol?
The canonical SMILES for 2,4-dichloro-3-methoxy-6-methylphenol is COc1c(Cl)cc(C)c(O)c1Cl.
What is the InChIKey of 2,4-dichloro-3-methoxy-6-methylphenol?
The InChIKey is SYJZEZOLDMTEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2O2/c1-4-3-5(9)8(12-2)6(10)7(4)11/h3,11H,1-2H3.
What are the key properties of 2,4-dichloro-3-methoxy-6-methylphenol?
2,4-dichloro-3-methoxy-6-methylphenol has a molecular weight of 207.06 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-methoxy-6-methylphenol is sourced from PubChem (CID 59082525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).