[4-hydroxy-3,5-di(propan-2-yl)phenyl]azanium chloride

C12H20ClNO — CID 10847030

IUPAC[4-hydroxy-3,5-di(propan-2-yl)phenyl]azanium chloride
SMILESCC(C)c1cc([NH3+])cc(C(C)C)c1O.[Cl-]
InChIInChI=1S/C12H19NO.ClH/c1-7(2)10-5-9(13)6-11(8(3)4)12(10)14;/h5-8,14H,13H2,1-4H3;1H
InChIKeyTZJBRMGVYGSBDZ-UHFFFAOYSA-N
MW229.75 g/mol
LogP-0.48
Rot. Bonds2

About [4-hydroxy-3,5-di(propan-2-yl)phenyl]azanium chloride

[4-hydroxy-3,5-di(propan-2-yl)phenyl]azanium chloride (PubChem CID 10847030) has the molecular formula C12H20ClNO and a molecular weight of 229.75 g/mol. Its IUPAC name is [4-hydroxy-3,5-di(propan-2-yl)phenyl]azanium chloride.

Molecular Properties

Compound Name[4-hydroxy-3,5-di(propan-2-yl)phenyl]azanium chloride
PubChem CID10847030
Molecular FormulaC12H20ClNO
Molecular Weight229.75 g/mol
Exact Mass229.12
IUPAC Name[4-hydroxy-3,5-di(propan-2-yl)phenyl]azanium chloride
SMILESCC(C)c1cc([NH3+])cc(C(C)C)c1O.[Cl-]
InChIInChI=1S/C12H19NO.ClH/c1-7(2)10-5-9(13)6-11(8(3)4)12(10)14;/h5-8,14H,13H2,1-4H3;1H
InChIKeyTZJBRMGVYGSBDZ-UHFFFAOYSA-N
XLogP-0.48
TPSA47.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.75
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-3,5-di(propan-2-yl)phenyl]azanium chloride?
The IUPAC name of [4-hydroxy-3,5-di(propan-2-yl)phenyl]azanium chloride (CID 10847030) is [4-hydroxy-3,5-di(propan-2-yl)phenyl]azanium chloride.
What is the SMILES notation for [4-hydroxy-3,5-di(propan-2-yl)phenyl]azanium chloride?
The canonical SMILES for [4-hydroxy-3,5-di(propan-2-yl)phenyl]azanium chloride is CC(C)c1cc([NH3+])cc(C(C)C)c1O.[Cl-].
What is the InChIKey of [4-hydroxy-3,5-di(propan-2-yl)phenyl]azanium chloride?
The InChIKey is TZJBRMGVYGSBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO.ClH/c1-7(2)10-5-9(13)6-11(8(3)4)12(10)14;/h5-8,14H,13H2,1-4H3;1H.
What are the key properties of [4-hydroxy-3,5-di(propan-2-yl)phenyl]azanium chloride?
[4-hydroxy-3,5-di(propan-2-yl)phenyl]azanium chloride has a molecular weight of 229.75 g/mol, XLogP of -0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-3,5-di(propan-2-yl)phenyl]azanium chloride is sourced from PubChem (CID 10847030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).