4-tert-Pentylphenol

C11H16O — CID 6643

IUPAC4-(2-methylbutan-2-yl)phenol
SMILESCCC(C)(C)C1=CC=C(C=C1)O
InChIInChI=1S/C11H16O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h5-8,12H,4H2,1-3H3
InChIKeyNRZWYNLTFLDQQX-UHFFFAOYSA-N
MW164.24 g/mol
LogP3.90
Rot. Bonds2

About 4-tert-Pentylphenol

4-tert-Pentylphenol (PubChem CID 6643) has the molecular formula C11H16O and a molecular weight of 164.24 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)phenol.

Molecular Properties

Compound Name4-tert-Pentylphenol
PubChem CID6643
Molecular FormulaC11H16O
Molecular Weight164.24 g/mol
Exact Mass164.12
IUPAC Name4-(2-methylbutan-2-yl)phenol
SMILESCCC(C)(C)C1=CC=C(C=C1)O
InChIInChI=1S/C11H16O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h5-8,12H,4H2,1-3H3
InChIKeyNRZWYNLTFLDQQX-UHFFFAOYSA-N
XLogP3.90
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity132

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.24
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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
4-tert-Butylphenol
CID 7393

Frequently Asked Questions

What is the IUPAC name of 4-tert-Pentylphenol?
The IUPAC name of 4-tert-Pentylphenol (CID 6643) is 4-(2-methylbutan-2-yl)phenol.
What is the SMILES notation for 4-tert-Pentylphenol?
The canonical SMILES for 4-tert-Pentylphenol is CCC(C)(C)C1=CC=C(C=C1)O.
What is the InChIKey of 4-tert-Pentylphenol?
The InChIKey is NRZWYNLTFLDQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h5-8,12H,4H2,1-3H3.
What are the key properties of 4-tert-Pentylphenol?
4-tert-Pentylphenol has a molecular weight of 164.24 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-Pentylphenol is sourced from PubChem (CID 6643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).