4-(2-tert-butyl-4,4-dimethylpent-1-enyl)phenol

C17H26O — CID 123660421

IUPAC4-(2-tert-butyl-4,4-dimethylpent-1-enyl)phenol
SMILESCC(C)(C)CC(=Cc1ccc(O)cc1)C(C)(C)C
InChIInChI=1S/C17H26O/c1-16(2,3)12-14(17(4,5)6)11-13-7-9-15(18)10-8-13/h7-11,18H,12H2,1-6H3
InChIKeyXUZLLDZSCLLRQM-UHFFFAOYSA-N
MW246.39 g/mol
LogP5.26
Rot. Bonds2

About 4-(2-tert-butyl-4,4-dimethylpent-1-enyl)phenol

4-(2-tert-butyl-4,4-dimethylpent-1-enyl)phenol (PubChem CID 123660421) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 4-(2-tert-butyl-4,4-dimethylpent-1-enyl)phenol.

Molecular Properties

Compound Name4-(2-tert-butyl-4,4-dimethylpent-1-enyl)phenol
PubChem CID123660421
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name4-(2-tert-butyl-4,4-dimethylpent-1-enyl)phenol
SMILESCC(C)(C)CC(=Cc1ccc(O)cc1)C(C)(C)C
InChIInChI=1S/C17H26O/c1-16(2,3)12-14(17(4,5)6)11-13-7-9-15(18)10-8-13/h7-11,18H,12H2,1-6H3
InChIKeyXUZLLDZSCLLRQM-UHFFFAOYSA-N
XLogP5.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.39
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-tert-butyl-4,4-dimethylpent-1-enyl)phenol?
The IUPAC name of 4-(2-tert-butyl-4,4-dimethylpent-1-enyl)phenol (CID 123660421) is 4-(2-tert-butyl-4,4-dimethylpent-1-enyl)phenol.
What is the SMILES notation for 4-(2-tert-butyl-4,4-dimethylpent-1-enyl)phenol?
The canonical SMILES for 4-(2-tert-butyl-4,4-dimethylpent-1-enyl)phenol is CC(C)(C)CC(=Cc1ccc(O)cc1)C(C)(C)C.
What is the InChIKey of 4-(2-tert-butyl-4,4-dimethylpent-1-enyl)phenol?
The InChIKey is XUZLLDZSCLLRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-16(2,3)12-14(17(4,5)6)11-13-7-9-15(18)10-8-13/h7-11,18H,12H2,1-6H3.
What are the key properties of 4-(2-tert-butyl-4,4-dimethylpent-1-enyl)phenol?
4-(2-tert-butyl-4,4-dimethylpent-1-enyl)phenol has a molecular weight of 246.39 g/mol, XLogP of 5.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-tert-butyl-4,4-dimethylpent-1-enyl)phenol is sourced from PubChem (CID 123660421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).