4,5-dimethyl-2-phenyl-3-prop-2-enylphenol

C17H18O — CID 174558136

IUPAC4,5-dimethyl-2-phenyl-3-prop-2-enylphenol
SMILESC=CCc1c(C)c(C)cc(O)c1-c1ccccc1
InChIInChI=1S/C17H18O/c1-4-8-15-13(3)12(2)11-16(18)17(15)14-9-6-5-7-10-14/h4-7,9-11,18H,1,8H2,2-3H3
InChIKeySPYWMRSSGXRACW-UHFFFAOYSA-N
MW238.33 g/mol
LogP4.40
Rot. Bonds3

About 4,5-dimethyl-2-phenyl-3-prop-2-enylphenol

4,5-dimethyl-2-phenyl-3-prop-2-enylphenol (PubChem CID 174558136) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 4,5-dimethyl-2-phenyl-3-prop-2-enylphenol.

Molecular Properties

Compound Name4,5-dimethyl-2-phenyl-3-prop-2-enylphenol
PubChem CID174558136
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name4,5-dimethyl-2-phenyl-3-prop-2-enylphenol
SMILESC=CCc1c(C)c(C)cc(O)c1-c1ccccc1
InChIInChI=1S/C17H18O/c1-4-8-15-13(3)12(2)11-16(18)17(15)14-9-6-5-7-10-14/h4-7,9-11,18H,1,8H2,2-3H3
InChIKeySPYWMRSSGXRACW-UHFFFAOYSA-N
XLogP4.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.40
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 4,5-dimethyl-2-phenyl-3-prop-2-enylphenol?
The IUPAC name of 4,5-dimethyl-2-phenyl-3-prop-2-enylphenol (CID 174558136) is 4,5-dimethyl-2-phenyl-3-prop-2-enylphenol.
What is the SMILES notation for 4,5-dimethyl-2-phenyl-3-prop-2-enylphenol?
The canonical SMILES for 4,5-dimethyl-2-phenyl-3-prop-2-enylphenol is C=CCc1c(C)c(C)cc(O)c1-c1ccccc1.
What is the InChIKey of 4,5-dimethyl-2-phenyl-3-prop-2-enylphenol?
The InChIKey is SPYWMRSSGXRACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O/c1-4-8-15-13(3)12(2)11-16(18)17(15)14-9-6-5-7-10-14/h4-7,9-11,18H,1,8H2,2-3H3.
What are the key properties of 4,5-dimethyl-2-phenyl-3-prop-2-enylphenol?
4,5-dimethyl-2-phenyl-3-prop-2-enylphenol has a molecular weight of 238.33 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-phenyl-3-prop-2-enylphenol is sourced from PubChem (CID 174558136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).