(4-tert-butylphenyl)methanol

C11H16O — CID 13416

IUPAC(4-tert-butylphenyl)methanol
SMILESCC(C)(C)c1ccc(CO)cc1
InChIInChI=1S/C11H16O/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7,12H,8H2,1-3H3
InChIKeyFVEINXLJOJPHLH-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.48
Rot. Bonds1

About (4-tert-butylphenyl)methanol

(4-tert-butylphenyl)methanol (PubChem CID 13416) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is (4-tert-butylphenyl)methanol.

Molecular Properties

Compound Name(4-tert-butylphenyl)methanol
PubChem CID13416
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name(4-tert-butylphenyl)methanol
SMILESCC(C)(C)c1ccc(CO)cc1
InChIInChI=1S/C11H16O/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7,12H,8H2,1-3H3
InChIKeyFVEINXLJOJPHLH-UHFFFAOYSA-N
XLogP2.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)methanol?
The IUPAC name of (4-tert-butylphenyl)methanol (CID 13416) is (4-tert-butylphenyl)methanol.
What is the SMILES notation for (4-tert-butylphenyl)methanol?
The canonical SMILES for (4-tert-butylphenyl)methanol is CC(C)(C)c1ccc(CO)cc1.
What is the InChIKey of (4-tert-butylphenyl)methanol?
The InChIKey is FVEINXLJOJPHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7,12H,8H2,1-3H3.
What are the key properties of (4-tert-butylphenyl)methanol?
(4-tert-butylphenyl)methanol has a molecular weight of 164.25 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)methanol is sourced from PubChem (CID 13416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).