4-chloro-2,6-di(propan-2-yl)phenol

C12H17ClO — CID 10059055

IUPAC4-chloro-2,6-di(propan-2-yl)phenol
SMILESCC(C)c1cc(Cl)cc(C(C)C)c1O
InChIInChI=1S/C12H17ClO/c1-7(2)10-5-9(13)6-11(8(3)4)12(10)14/h5-8,14H,1-4H3
InChIKeyZRTAKZQCHCQFAB-UHFFFAOYSA-N
MW212.72 g/mol
LogP4.29
Rot. Bonds2

About 4-chloro-2,6-di(propan-2-yl)phenol

4-chloro-2,6-di(propan-2-yl)phenol (PubChem CID 10059055) has the molecular formula C12H17ClO and a molecular weight of 212.72 g/mol. Its IUPAC name is 4-chloro-2,6-di(propan-2-yl)phenol.

Molecular Properties

Compound Name4-chloro-2,6-di(propan-2-yl)phenol
PubChem CID10059055
Molecular FormulaC12H17ClO
Molecular Weight212.72 g/mol
Exact Mass212.10
IUPAC Name4-chloro-2,6-di(propan-2-yl)phenol
SMILESCC(C)c1cc(Cl)cc(C(C)C)c1O
InChIInChI=1S/C12H17ClO/c1-7(2)10-5-9(13)6-11(8(3)4)12(10)14/h5-8,14H,1-4H3
InChIKeyZRTAKZQCHCQFAB-UHFFFAOYSA-N
XLogP4.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,6-di(propan-2-yl)phenol?
The IUPAC name of 4-chloro-2,6-di(propan-2-yl)phenol (CID 10059055) is 4-chloro-2,6-di(propan-2-yl)phenol.
What is the SMILES notation for 4-chloro-2,6-di(propan-2-yl)phenol?
The canonical SMILES for 4-chloro-2,6-di(propan-2-yl)phenol is CC(C)c1cc(Cl)cc(C(C)C)c1O.
What is the InChIKey of 4-chloro-2,6-di(propan-2-yl)phenol?
The InChIKey is ZRTAKZQCHCQFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO/c1-7(2)10-5-9(13)6-11(8(3)4)12(10)14/h5-8,14H,1-4H3.
What are the key properties of 4-chloro-2,6-di(propan-2-yl)phenol?
4-chloro-2,6-di(propan-2-yl)phenol has a molecular weight of 212.72 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,6-di(propan-2-yl)phenol is sourced from PubChem (CID 10059055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).