3-propan-2-yl-5-prop-2-enylphenol

C12H16O — CID 169324480

IUPAC3-propan-2-yl-5-prop-2-enylphenol
SMILESC=CCc1cc(O)cc(C(C)C)c1
InChIInChI=1S/C12H16O/c1-4-5-10-6-11(9(2)3)8-12(13)7-10/h4,6-9,13H,1,5H2,2-3H3
InChIKeyQKVAMDFNRIZFMY-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.24
Rot. Bonds3

About 3-propan-2-yl-5-prop-2-enylphenol

3-propan-2-yl-5-prop-2-enylphenol (PubChem CID 169324480) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 3-propan-2-yl-5-prop-2-enylphenol.

Molecular Properties

Compound Name3-propan-2-yl-5-prop-2-enylphenol
PubChem CID169324480
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name3-propan-2-yl-5-prop-2-enylphenol
SMILESC=CCc1cc(O)cc(C(C)C)c1
InChIInChI=1S/C12H16O/c1-4-5-10-6-11(9(2)3)8-12(13)7-10/h4,6-9,13H,1,5H2,2-3H3
InChIKeyQKVAMDFNRIZFMY-UHFFFAOYSA-N
XLogP3.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.24
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 3-propan-2-yl-5-prop-2-enylphenol?
The IUPAC name of 3-propan-2-yl-5-prop-2-enylphenol (CID 169324480) is 3-propan-2-yl-5-prop-2-enylphenol.
What is the SMILES notation for 3-propan-2-yl-5-prop-2-enylphenol?
The canonical SMILES for 3-propan-2-yl-5-prop-2-enylphenol is C=CCc1cc(O)cc(C(C)C)c1.
What is the InChIKey of 3-propan-2-yl-5-prop-2-enylphenol?
The InChIKey is QKVAMDFNRIZFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-4-5-10-6-11(9(2)3)8-12(13)7-10/h4,6-9,13H,1,5H2,2-3H3.
What are the key properties of 3-propan-2-yl-5-prop-2-enylphenol?
3-propan-2-yl-5-prop-2-enylphenol has a molecular weight of 176.26 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5-prop-2-enylphenol is sourced from PubChem (CID 169324480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).