4-tert-butylphenol

C10H14O — CID 7393

IUPAC4-tert-butylphenol
SMILESCC(C)(C)c1ccc(O)cc1
InChIInChI=1S/C10H14O/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7,11H,1-3H3
InChIKeyQHPQWRBYOIRBIT-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.69
Rot. Bonds

About 4-tert-butylphenol

4-tert-butylphenol (PubChem CID 7393) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 4-tert-butylphenol.

Molecular Properties

Compound Name4-tert-butylphenol
PubChem CID7393
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name4-tert-butylphenol
SMILESCC(C)(C)c1ccc(O)cc1
InChIInChI=1S/C10H14O/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7,11H,1-3H3
InChIKeyQHPQWRBYOIRBIT-UHFFFAOYSA-N
XLogP2.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-Pentylphenol
CID 6643
P-Cresol
CID 2879
Thymol
CID 6989
Diethylstilbestrol
CID 448537
O-Cresol
CID 335
M-Cresol
CID 342
Bisphenol A
CID 6623
2,4-Dimethylphenol
CID 7771
Tert-Butylhydroquinone
CID 16043
2,6-Di-tert-butyl-4-methylphenol
CID 31404
Dienestrol
CID 667476
(1,1'-Biphenyl)-2-ol
CID 7017

Frequently Asked Questions

What is the IUPAC name of 4-tert-butylphenol?
The IUPAC name of 4-tert-butylphenol (CID 7393) is 4-tert-butylphenol.
What is the SMILES notation for 4-tert-butylphenol?
The canonical SMILES for 4-tert-butylphenol is CC(C)(C)c1ccc(O)cc1.
What is the InChIKey of 4-tert-butylphenol?
The InChIKey is QHPQWRBYOIRBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7,11H,1-3H3.
What are the key properties of 4-tert-butylphenol?
4-tert-butylphenol has a molecular weight of 150.22 g/mol, XLogP of 2.69, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylphenol is sourced from PubChem (CID 7393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).