4-tert-butyl-2-(3-hydroxyprop-1-enyl)phenol

C13H18O2 — CID 169453803

IUPAC4-tert-butyl-2-(3-hydroxyprop-1-enyl)phenol
SMILESCC(C)(C)c1ccc(O)c(C=CCO)c1
InChIInChI=1S/C13H18O2/c1-13(2,3)11-6-7-12(15)10(9-11)5-4-8-14/h4-7,9,14-15H,8H2,1-3H3
InChIKeyPOMTVMZVFVBFSD-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.70
Rot. Bonds2

About 4-tert-butyl-2-(3-hydroxyprop-1-enyl)phenol

4-tert-butyl-2-(3-hydroxyprop-1-enyl)phenol (PubChem CID 169453803) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 4-tert-butyl-2-(3-hydroxyprop-1-enyl)phenol.

Molecular Properties

Compound Name4-tert-butyl-2-(3-hydroxyprop-1-enyl)phenol
PubChem CID169453803
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name4-tert-butyl-2-(3-hydroxyprop-1-enyl)phenol
SMILESCC(C)(C)c1ccc(O)c(C=CCO)c1
InChIInChI=1S/C13H18O2/c1-13(2,3)11-6-7-12(15)10(9-11)5-4-8-14/h4-7,9,14-15H,8H2,1-3H3
InChIKeyPOMTVMZVFVBFSD-UHFFFAOYSA-N
XLogP2.70
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-2-(4-hydroxybut-1-enyl)phenol
CID 170477115
4-bromo-2-[(E)-3-hydroxyprop-1-enyl]phenol
CID 12641145
2-(3-hydroxyprop-1-enyl)-4-methoxyphenol
CID 169453185
2-[3-(methylamino)prop-1-enyl]-4-(trifluoromethyl)phenol
CID 169474120
4-[(E)-3-hydroxyprop-1-enyl]benzene-1,3-diol
CID 18539716
benzyl N-[4-(5-tert-butyl-2-hydroxyphenyl)but-3-enyl]carbamate
CID 170494610
(E)-3-(5-tert-butyl-2-methylphenyl)prop-2-en-1-amine
CID 82282686
2-[(E)-but-1-enyl]benzene-1,4-diol
CID 19910488
2-(3-formyl-4-hydroxyphenyl)-2-methylpropanoic acid
CID 87741445
4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol
CID 136775436
4-tert-butyl-2-[(2,4,6-trifluorophenyl)iminomethyl]phenol
CID 136928876
4-tert-butyl-2-fluorophenol
CID 11062790

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(3-hydroxyprop-1-enyl)phenol?
The IUPAC name of 4-tert-butyl-2-(3-hydroxyprop-1-enyl)phenol (CID 169453803) is 4-tert-butyl-2-(3-hydroxyprop-1-enyl)phenol.
What is the SMILES notation for 4-tert-butyl-2-(3-hydroxyprop-1-enyl)phenol?
The canonical SMILES for 4-tert-butyl-2-(3-hydroxyprop-1-enyl)phenol is CC(C)(C)c1ccc(O)c(C=CCO)c1.
What is the InChIKey of 4-tert-butyl-2-(3-hydroxyprop-1-enyl)phenol?
The InChIKey is POMTVMZVFVBFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-13(2,3)11-6-7-12(15)10(9-11)5-4-8-14/h4-7,9,14-15H,8H2,1-3H3.
What are the key properties of 4-tert-butyl-2-(3-hydroxyprop-1-enyl)phenol?
4-tert-butyl-2-(3-hydroxyprop-1-enyl)phenol has a molecular weight of 206.28 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(3-hydroxyprop-1-enyl)phenol is sourced from PubChem (CID 169453803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).