1-[4-(dimethylamino)-2-hydroxyphenyl]-3-phenylprop-2-en-1-one

C17H17NO2 — CID 53425875

IUPAC1-[4-(dimethylamino)-2-hydroxyphenyl]-3-phenylprop-2-en-1-one
SMILESCN(C)c1ccc(C(=O)C=Cc2ccccc2)c(O)c1
InChIInChI=1S/C17H17NO2/c1-18(2)14-9-10-15(17(20)12-14)16(19)11-8-13-6-4-3-5-7-13/h3-12,20H,1-2H3
InChIKeyAAGLVZPFFWULCV-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.35
Rot. Bonds4

About 1-[4-(dimethylamino)-2-hydroxyphenyl]-3-phenylprop-2-en-1-one

1-[4-(dimethylamino)-2-hydroxyphenyl]-3-phenylprop-2-en-1-one (PubChem CID 53425875) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-2-hydroxyphenyl]-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name1-[4-(dimethylamino)-2-hydroxyphenyl]-3-phenylprop-2-en-1-one
PubChem CID53425875
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name1-[4-(dimethylamino)-2-hydroxyphenyl]-3-phenylprop-2-en-1-one
SMILESCN(C)c1ccc(C(=O)C=Cc2ccccc2)c(O)c1
InChIInChI=1S/C17H17NO2/c1-18(2)14-9-10-15(17(20)12-14)16(19)11-8-13-6-4-3-5-7-13/h3-12,20H,1-2H3
InChIKeyAAGLVZPFFWULCV-UHFFFAOYSA-N
XLogP3.35
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-2-hydroxyphenyl]-3-phenylprop-2-en-1-one?
The IUPAC name of 1-[4-(dimethylamino)-2-hydroxyphenyl]-3-phenylprop-2-en-1-one (CID 53425875) is 1-[4-(dimethylamino)-2-hydroxyphenyl]-3-phenylprop-2-en-1-one.
What is the SMILES notation for 1-[4-(dimethylamino)-2-hydroxyphenyl]-3-phenylprop-2-en-1-one?
The canonical SMILES for 1-[4-(dimethylamino)-2-hydroxyphenyl]-3-phenylprop-2-en-1-one is CN(C)c1ccc(C(=O)C=Cc2ccccc2)c(O)c1.
What is the InChIKey of 1-[4-(dimethylamino)-2-hydroxyphenyl]-3-phenylprop-2-en-1-one?
The InChIKey is AAGLVZPFFWULCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-18(2)14-9-10-15(17(20)12-14)16(19)11-8-13-6-4-3-5-7-13/h3-12,20H,1-2H3.
What are the key properties of 1-[4-(dimethylamino)-2-hydroxyphenyl]-3-phenylprop-2-en-1-one?
1-[4-(dimethylamino)-2-hydroxyphenyl]-3-phenylprop-2-en-1-one has a molecular weight of 267.33 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)-2-hydroxyphenyl]-3-phenylprop-2-en-1-one is sourced from PubChem (CID 53425875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).