3-phenyl-2-propan-2-yl-4-prop-1-en-2-ylphenol

C18H20O — CID 70579546

IUPAC3-phenyl-2-propan-2-yl-4-prop-1-en-2-ylphenol
SMILESC=C(C)c1ccc(O)c(C(C)C)c1-c1ccccc1
InChIInChI=1S/C18H20O/c1-12(2)15-10-11-16(19)17(13(3)4)18(15)14-8-6-5-7-9-14/h5-11,13,19H,1H2,2-4H3
InChIKeyVSHFJXFJKHOASV-UHFFFAOYSA-N
MW252.36 g/mol
LogP5.22
Rot. Bonds3

About 3-phenyl-2-propan-2-yl-4-prop-1-en-2-ylphenol

3-phenyl-2-propan-2-yl-4-prop-1-en-2-ylphenol (PubChem CID 70579546) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-phenyl-2-propan-2-yl-4-prop-1-en-2-ylphenol.

Molecular Properties

Compound Name3-phenyl-2-propan-2-yl-4-prop-1-en-2-ylphenol
PubChem CID70579546
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name3-phenyl-2-propan-2-yl-4-prop-1-en-2-ylphenol
SMILESC=C(C)c1ccc(O)c(C(C)C)c1-c1ccccc1
InChIInChI=1S/C18H20O/c1-12(2)15-10-11-16(19)17(13(3)4)18(15)14-8-6-5-7-9-14/h5-11,13,19H,1H2,2-4H3
InChIKeyVSHFJXFJKHOASV-UHFFFAOYSA-N
XLogP5.22
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 ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-phenyl-2-propan-2-yl-4-prop-1-en-2-ylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-propan-2-yl-4-prop-1-en-2-ylphenol?
The IUPAC name of 3-phenyl-2-propan-2-yl-4-prop-1-en-2-ylphenol (CID 70579546) is 3-phenyl-2-propan-2-yl-4-prop-1-en-2-ylphenol.
What is the SMILES notation for 3-phenyl-2-propan-2-yl-4-prop-1-en-2-ylphenol?
The canonical SMILES for 3-phenyl-2-propan-2-yl-4-prop-1-en-2-ylphenol is C=C(C)c1ccc(O)c(C(C)C)c1-c1ccccc1.
What is the InChIKey of 3-phenyl-2-propan-2-yl-4-prop-1-en-2-ylphenol?
The InChIKey is VSHFJXFJKHOASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O/c1-12(2)15-10-11-16(19)17(13(3)4)18(15)14-8-6-5-7-9-14/h5-11,13,19H,1H2,2-4H3.
What are the key properties of 3-phenyl-2-propan-2-yl-4-prop-1-en-2-ylphenol?
3-phenyl-2-propan-2-yl-4-prop-1-en-2-ylphenol has a molecular weight of 252.36 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-propan-2-yl-4-prop-1-en-2-ylphenol is sourced from PubChem (CID 70579546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).