4-(2-phenylprop-1-enyl)-2-propan-2-ylphenol

C18H20O — CID 90758249

IUPAC4-(2-phenylprop-1-enyl)-2-propan-2-ylphenol
SMILESCC(=Cc1ccc(O)c(C(C)C)c1)c1ccccc1
InChIInChI=1S/C18H20O/c1-13(2)17-12-15(9-10-18(17)19)11-14(3)16-7-5-4-6-8-16/h4-13,19H,1-3H3
InChIKeyPMCJKQUOYYXCMI-UHFFFAOYSA-N
MW252.36 g/mol
LogP5.08
Rot. Bonds3

About 4-(2-phenylprop-1-enyl)-2-propan-2-ylphenol

4-(2-phenylprop-1-enyl)-2-propan-2-ylphenol (PubChem CID 90758249) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-(2-phenylprop-1-enyl)-2-propan-2-ylphenol.

Molecular Properties

Compound Name4-(2-phenylprop-1-enyl)-2-propan-2-ylphenol
PubChem CID90758249
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name4-(2-phenylprop-1-enyl)-2-propan-2-ylphenol
SMILESCC(=Cc1ccc(O)c(C(C)C)c1)c1ccccc1
InChIInChI=1S/C18H20O/c1-13(2)17-12-15(9-10-18(17)19)11-14(3)16-7-5-4-6-8-16/h4-13,19H,1-3H3
InChIKeyPMCJKQUOYYXCMI-UHFFFAOYSA-N
XLogP5.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.36
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylprop-1-enyl)-2-propan-2-ylphenol?
The IUPAC name of 4-(2-phenylprop-1-enyl)-2-propan-2-ylphenol (CID 90758249) is 4-(2-phenylprop-1-enyl)-2-propan-2-ylphenol.
What is the SMILES notation for 4-(2-phenylprop-1-enyl)-2-propan-2-ylphenol?
The canonical SMILES for 4-(2-phenylprop-1-enyl)-2-propan-2-ylphenol is CC(=Cc1ccc(O)c(C(C)C)c1)c1ccccc1.
What is the InChIKey of 4-(2-phenylprop-1-enyl)-2-propan-2-ylphenol?
The InChIKey is PMCJKQUOYYXCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O/c1-13(2)17-12-15(9-10-18(17)19)11-14(3)16-7-5-4-6-8-16/h4-13,19H,1-3H3.
What are the key properties of 4-(2-phenylprop-1-enyl)-2-propan-2-ylphenol?
4-(2-phenylprop-1-enyl)-2-propan-2-ylphenol has a molecular weight of 252.36 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylprop-1-enyl)-2-propan-2-ylphenol is sourced from PubChem (CID 90758249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).