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

C9H10Cl2O — CID 174112447

IUPAC2,6-dichloro-3-propan-2-ylphenol
SMILESCC(C)c1ccc(Cl)c(O)c1Cl
InChIInChI=1S/C9H10Cl2O/c1-5(2)6-3-4-7(10)9(12)8(6)11/h3-5,12H,1-2H3
InChIKeyHTDIFQHFXWQFRU-UHFFFAOYSA-N
MW205.08 g/mol
LogP3.82
Rot. Bonds1

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

2,6-dichloro-3-propan-2-ylphenol (PubChem CID 174112447) has the molecular formula C9H10Cl2O and a molecular weight of 205.08 g/mol. Its IUPAC name is 2,6-dichloro-3-propan-2-ylphenol.

Molecular Properties

Compound Name2,6-dichloro-3-propan-2-ylphenol
PubChem CID174112447
Molecular FormulaC9H10Cl2O
Molecular Weight205.08 g/mol
Exact Mass204.01
IUPAC Name2,6-dichloro-3-propan-2-ylphenol
SMILESCC(C)c1ccc(Cl)c(O)c1Cl
InChIInChI=1S/C9H10Cl2O/c1-5(2)6-3-4-7(10)9(12)8(6)11/h3-5,12H,1-2H3
InChIKeyHTDIFQHFXWQFRU-UHFFFAOYSA-N
XLogP3.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.08
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3-propan-2-ylphenol?
The IUPAC name of 2,6-dichloro-3-propan-2-ylphenol (CID 174112447) is 2,6-dichloro-3-propan-2-ylphenol.
What is the SMILES notation for 2,6-dichloro-3-propan-2-ylphenol?
The canonical SMILES for 2,6-dichloro-3-propan-2-ylphenol is CC(C)c1ccc(Cl)c(O)c1Cl.
What is the InChIKey of 2,6-dichloro-3-propan-2-ylphenol?
The InChIKey is HTDIFQHFXWQFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2O/c1-5(2)6-3-4-7(10)9(12)8(6)11/h3-5,12H,1-2H3.
What are the key properties of 2,6-dichloro-3-propan-2-ylphenol?
2,6-dichloro-3-propan-2-ylphenol has a molecular weight of 205.08 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-propan-2-ylphenol is sourced from PubChem (CID 174112447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).