4-[(dimethylamino)methyl]-2-methyl-6-(2-phenylprop-1-enyl)phenol

C19H23NO — CID 54444397

IUPAC4-[(dimethylamino)methyl]-2-methyl-6-(2-phenylprop-1-enyl)phenol
SMILESCC(=Cc1cc(CN(C)C)cc(C)c1O)c1ccccc1
InChIInChI=1S/C19H23NO/c1-14(17-8-6-5-7-9-17)11-18-12-16(13-20(3)4)10-15(2)19(18)21/h5-12,21H,13H2,1-4H3
InChIKeyWQLYZKIUPQXOMC-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.32
Rot. Bonds4

About 4-[(dimethylamino)methyl]-2-methyl-6-(2-phenylprop-1-enyl)phenol

4-[(dimethylamino)methyl]-2-methyl-6-(2-phenylprop-1-enyl)phenol (PubChem CID 54444397) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-2-methyl-6-(2-phenylprop-1-enyl)phenol.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-2-methyl-6-(2-phenylprop-1-enyl)phenol
PubChem CID54444397
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name4-[(dimethylamino)methyl]-2-methyl-6-(2-phenylprop-1-enyl)phenol
SMILESCC(=Cc1cc(CN(C)C)cc(C)c1O)c1ccccc1
InChIInChI=1S/C19H23NO/c1-14(17-8-6-5-7-9-17)11-18-12-16(13-20(3)4)10-15(2)19(18)21/h5-12,21H,13H2,1-4H3
InChIKeyWQLYZKIUPQXOMC-UHFFFAOYSA-N
XLogP4.32
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(dimethylamino)methyl]-2-methyl-6-(2-phenylprop-1-enyl)phenol?
The IUPAC name of 4-[(dimethylamino)methyl]-2-methyl-6-(2-phenylprop-1-enyl)phenol (CID 54444397) is 4-[(dimethylamino)methyl]-2-methyl-6-(2-phenylprop-1-enyl)phenol.
What is the SMILES notation for 4-[(dimethylamino)methyl]-2-methyl-6-(2-phenylprop-1-enyl)phenol?
The canonical SMILES for 4-[(dimethylamino)methyl]-2-methyl-6-(2-phenylprop-1-enyl)phenol is CC(=Cc1cc(CN(C)C)cc(C)c1O)c1ccccc1.
What is the InChIKey of 4-[(dimethylamino)methyl]-2-methyl-6-(2-phenylprop-1-enyl)phenol?
The InChIKey is WQLYZKIUPQXOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-14(17-8-6-5-7-9-17)11-18-12-16(13-20(3)4)10-15(2)19(18)21/h5-12,21H,13H2,1-4H3.
What are the key properties of 4-[(dimethylamino)methyl]-2-methyl-6-(2-phenylprop-1-enyl)phenol?
4-[(dimethylamino)methyl]-2-methyl-6-(2-phenylprop-1-enyl)phenol has a molecular weight of 281.40 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-2-methyl-6-(2-phenylprop-1-enyl)phenol is sourced from PubChem (CID 54444397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).