2-tert-butylphenol;2-prop-2-enylphenol

C19H24O2 — CID 88688446

IUPAC2-tert-butylphenol;2-prop-2-enylphenol
SMILESC=CCc1ccccc1O.CC(C)(C)c1ccccc1O
InChIInChI=1S/C10H14O.C9H10O/c1-10(2,3)8-6-4-5-7-9(8)11;1-2-5-8-6-3-4-7-9(8)10/h4-7,11H,1-3H3;2-4,6-7,10H,1,5H2
InChIKeyWPGIVCYPWKSTPU-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.81
Rot. Bonds2

About 2-tert-butylphenol;2-prop-2-enylphenol

2-tert-butylphenol;2-prop-2-enylphenol (PubChem CID 88688446) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-tert-butylphenol;2-prop-2-enylphenol.

Molecular Properties

Compound Name2-tert-butylphenol;2-prop-2-enylphenol
PubChem CID88688446
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name2-tert-butylphenol;2-prop-2-enylphenol
SMILESC=CCc1ccccc1O.CC(C)(C)c1ccccc1O
InChIInChI=1S/C10H14O.C9H10O/c1-10(2,3)8-6-4-5-7-9(8)11;1-2-5-8-6-3-4-7-9(8)10/h4-7,11H,1-3H3;2-4,6-7,10H,1,5H2
InChIKeyWPGIVCYPWKSTPU-UHFFFAOYSA-N
XLogP4.81
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylphenol;2-prop-2-enylphenol?
The IUPAC name of 2-tert-butylphenol;2-prop-2-enylphenol (CID 88688446) is 2-tert-butylphenol;2-prop-2-enylphenol.
What is the SMILES notation for 2-tert-butylphenol;2-prop-2-enylphenol?
The canonical SMILES for 2-tert-butylphenol;2-prop-2-enylphenol is C=CCc1ccccc1O.CC(C)(C)c1ccccc1O.
What is the InChIKey of 2-tert-butylphenol;2-prop-2-enylphenol?
The InChIKey is WPGIVCYPWKSTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.C9H10O/c1-10(2,3)8-6-4-5-7-9(8)11;1-2-5-8-6-3-4-7-9(8)10/h4-7,11H,1-3H3;2-4,6-7,10H,1,5H2.
What are the key properties of 2-tert-butylphenol;2-prop-2-enylphenol?
2-tert-butylphenol;2-prop-2-enylphenol has a molecular weight of 284.40 g/mol, XLogP of 4.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylphenol;2-prop-2-enylphenol is sourced from PubChem (CID 88688446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).