4-tert-butyl-2-(4-hydroxybut-1-enyl)phenol

C14H20O2 — CID 170477115

IUPAC4-tert-butyl-2-(4-hydroxybut-1-enyl)phenol
SMILESCC(C)(C)c1ccc(O)c(C=CCCO)c1
InChIInChI=1S/C14H20O2/c1-14(2,3)12-7-8-13(16)11(10-12)6-4-5-9-15/h4,6-8,10,15-16H,5,9H2,1-3H3
InChIKeyFGOJNMAKMQSPSH-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.09
Rot. Bonds3

About 4-tert-butyl-2-(4-hydroxybut-1-enyl)phenol

4-tert-butyl-2-(4-hydroxybut-1-enyl)phenol (PubChem CID 170477115) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 4-tert-butyl-2-(4-hydroxybut-1-enyl)phenol.

Molecular Properties

Compound Name4-tert-butyl-2-(4-hydroxybut-1-enyl)phenol
PubChem CID170477115
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name4-tert-butyl-2-(4-hydroxybut-1-enyl)phenol
SMILESCC(C)(C)c1ccc(O)c(C=CCCO)c1
InChIInChI=1S/C14H20O2/c1-14(2,3)12-7-8-13(16)11(10-12)6-4-5-9-15/h4,6-8,10,15-16H,5,9H2,1-3H3
InChIKeyFGOJNMAKMQSPSH-UHFFFAOYSA-N
XLogP3.09
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(4-hydroxybut-1-enyl)phenol?
The IUPAC name of 4-tert-butyl-2-(4-hydroxybut-1-enyl)phenol (CID 170477115) is 4-tert-butyl-2-(4-hydroxybut-1-enyl)phenol.
What is the SMILES notation for 4-tert-butyl-2-(4-hydroxybut-1-enyl)phenol?
The canonical SMILES for 4-tert-butyl-2-(4-hydroxybut-1-enyl)phenol is CC(C)(C)c1ccc(O)c(C=CCCO)c1.
What is the InChIKey of 4-tert-butyl-2-(4-hydroxybut-1-enyl)phenol?
The InChIKey is FGOJNMAKMQSPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-14(2,3)12-7-8-13(16)11(10-12)6-4-5-9-15/h4,6-8,10,15-16H,5,9H2,1-3H3.
What are the key properties of 4-tert-butyl-2-(4-hydroxybut-1-enyl)phenol?
4-tert-butyl-2-(4-hydroxybut-1-enyl)phenol has a molecular weight of 220.31 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(4-hydroxybut-1-enyl)phenol is sourced from PubChem (CID 170477115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).