2-butan-2-yl-4-prop-2-enylphenol

C13H18O — CID 155933594

IUPAC2-butan-2-yl-4-prop-2-enylphenol
SMILESC=CCc1ccc(O)c(C(C)CC)c1
InChIInChI=1S/C13H18O/c1-4-6-11-7-8-13(14)12(9-11)10(3)5-2/h4,7-10,14H,1,5-6H2,2-3H3
InChIKeyPNHOJTIMWOJEDZ-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.63
Rot. Bonds4

About 2-butan-2-yl-4-prop-2-enylphenol

2-butan-2-yl-4-prop-2-enylphenol (PubChem CID 155933594) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-butan-2-yl-4-prop-2-enylphenol.

Molecular Properties

Compound Name2-butan-2-yl-4-prop-2-enylphenol
PubChem CID155933594
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name2-butan-2-yl-4-prop-2-enylphenol
SMILESC=CCc1ccc(O)c(C(C)CC)c1
InChIInChI=1S/C13H18O/c1-4-6-11-7-8-13(14)12(9-11)10(3)5-2/h4,7-10,14H,1,5-6H2,2-3H3
InChIKeyPNHOJTIMWOJEDZ-UHFFFAOYSA-N
XLogP3.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-butan-2-yl-4-prop-2-enylphenol?
The IUPAC name of 2-butan-2-yl-4-prop-2-enylphenol (CID 155933594) is 2-butan-2-yl-4-prop-2-enylphenol.
What is the SMILES notation for 2-butan-2-yl-4-prop-2-enylphenol?
The canonical SMILES for 2-butan-2-yl-4-prop-2-enylphenol is C=CCc1ccc(O)c(C(C)CC)c1.
What is the InChIKey of 2-butan-2-yl-4-prop-2-enylphenol?
The InChIKey is PNHOJTIMWOJEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-4-6-11-7-8-13(14)12(9-11)10(3)5-2/h4,7-10,14H,1,5-6H2,2-3H3.
What are the key properties of 2-butan-2-yl-4-prop-2-enylphenol?
2-butan-2-yl-4-prop-2-enylphenol has a molecular weight of 190.29 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-4-prop-2-enylphenol is sourced from PubChem (CID 155933594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).