4-(2,4,4-trimethylpentan-2-yl)phenol

C14H22O — CID 8814

IUPAC4-(2,4,4-trimethylpentan-2-yl)phenol
SMILESCC(C)(C)CC(C)(C)c1ccc(O)cc1
InChIInChI=1S/C14H22O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11/h6-9,15H,10H2,1-5H3
InChIKeyISAVYTVYFVQUDY-UHFFFAOYSA-N
MW206.33 g/mol
LogP4.11
Rot. Bonds2

About 4-(2,4,4-trimethylpentan-2-yl)phenol

4-(2,4,4-trimethylpentan-2-yl)phenol (PubChem CID 8814) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 4-(2,4,4-trimethylpentan-2-yl)phenol.

Molecular Properties

Compound Name4-(2,4,4-trimethylpentan-2-yl)phenol
PubChem CID8814
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name4-(2,4,4-trimethylpentan-2-yl)phenol
SMILESCC(C)(C)CC(C)(C)c1ccc(O)cc1
InChIInChI=1S/C14H22O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11/h6-9,15H,10H2,1-5H3
InChIKeyISAVYTVYFVQUDY-UHFFFAOYSA-N
XLogP4.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4,4-trimethylpentan-2-yl)phenol?
The IUPAC name of 4-(2,4,4-trimethylpentan-2-yl)phenol (CID 8814) is 4-(2,4,4-trimethylpentan-2-yl)phenol.
What is the SMILES notation for 4-(2,4,4-trimethylpentan-2-yl)phenol?
The canonical SMILES for 4-(2,4,4-trimethylpentan-2-yl)phenol is CC(C)(C)CC(C)(C)c1ccc(O)cc1.
What is the InChIKey of 4-(2,4,4-trimethylpentan-2-yl)phenol?
The InChIKey is ISAVYTVYFVQUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11/h6-9,15H,10H2,1-5H3.
What are the key properties of 4-(2,4,4-trimethylpentan-2-yl)phenol?
4-(2,4,4-trimethylpentan-2-yl)phenol has a molecular weight of 206.33 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4,4-trimethylpentan-2-yl)phenol is sourced from PubChem (CID 8814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).