4,6-dichloro-2-methyl-3-propan-2-ylphenol

C10H12Cl2O — CID 130033448

IUPAC4,6-dichloro-2-methyl-3-propan-2-ylphenol
SMILESCc1c(O)c(Cl)cc(Cl)c1C(C)C
InChIInChI=1S/C10H12Cl2O/c1-5(2)9-6(3)10(13)8(12)4-7(9)11/h4-5,13H,1-3H3
InChIKeyDBGMWINJQBAFDU-UHFFFAOYSA-N
MW219.11 g/mol
LogP4.13
Rot. Bonds1

About 4,6-dichloro-2-methyl-3-propan-2-ylphenol

4,6-dichloro-2-methyl-3-propan-2-ylphenol (PubChem CID 130033448) has the molecular formula C10H12Cl2O and a molecular weight of 219.11 g/mol. Its IUPAC name is 4,6-dichloro-2-methyl-3-propan-2-ylphenol.

Molecular Properties

Compound Name4,6-dichloro-2-methyl-3-propan-2-ylphenol
PubChem CID130033448
Molecular FormulaC10H12Cl2O
Molecular Weight219.11 g/mol
Exact Mass218.03
IUPAC Name4,6-dichloro-2-methyl-3-propan-2-ylphenol
SMILESCc1c(O)c(Cl)cc(Cl)c1C(C)C
InChIInChI=1S/C10H12Cl2O/c1-5(2)9-6(3)10(13)8(12)4-7(9)11/h4-5,13H,1-3H3
InChIKeyDBGMWINJQBAFDU-UHFFFAOYSA-N
XLogP4.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.11
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4,6-dichloro-2-methyl-3-propan-2-ylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-methyl-3-propan-2-ylphenol?
The IUPAC name of 4,6-dichloro-2-methyl-3-propan-2-ylphenol (CID 130033448) is 4,6-dichloro-2-methyl-3-propan-2-ylphenol.
What is the SMILES notation for 4,6-dichloro-2-methyl-3-propan-2-ylphenol?
The canonical SMILES for 4,6-dichloro-2-methyl-3-propan-2-ylphenol is Cc1c(O)c(Cl)cc(Cl)c1C(C)C.
What is the InChIKey of 4,6-dichloro-2-methyl-3-propan-2-ylphenol?
The InChIKey is DBGMWINJQBAFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2O/c1-5(2)9-6(3)10(13)8(12)4-7(9)11/h4-5,13H,1-3H3.
What are the key properties of 4,6-dichloro-2-methyl-3-propan-2-ylphenol?
4,6-dichloro-2-methyl-3-propan-2-ylphenol has a molecular weight of 219.11 g/mol, XLogP of 4.13, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-methyl-3-propan-2-ylphenol is sourced from PubChem (CID 130033448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).