3-[4-(dimethylamino)phenyl]-2-hydroxy-1-(3-methylphenyl)propan-1-one

C18H21NO2 — CID 70453324

IUPAC3-[4-(dimethylamino)phenyl]-2-hydroxy-1-(3-methylphenyl)propan-1-one
SMILESCc1cccc(C(=O)C(O)Cc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C18H21NO2/c1-13-5-4-6-15(11-13)18(21)17(20)12-14-7-9-16(10-8-14)19(2)3/h4-11,17,20H,12H2,1-3H3
InChIKeyKYCXIZBSISACJO-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.85
Rot. Bonds5

About 3-[4-(dimethylamino)phenyl]-2-hydroxy-1-(3-methylphenyl)propan-1-one

3-[4-(dimethylamino)phenyl]-2-hydroxy-1-(3-methylphenyl)propan-1-one (PubChem CID 70453324) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]-2-hydroxy-1-(3-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]-2-hydroxy-1-(3-methylphenyl)propan-1-one
PubChem CID70453324
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name3-[4-(dimethylamino)phenyl]-2-hydroxy-1-(3-methylphenyl)propan-1-one
SMILESCc1cccc(C(=O)C(O)Cc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C18H21NO2/c1-13-5-4-6-15(11-13)18(21)17(20)12-14-7-9-16(10-8-14)19(2)3/h4-11,17,20H,12H2,1-3H3
InChIKeyKYCXIZBSISACJO-UHFFFAOYSA-N
XLogP2.85
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)phenyl]-2-hydroxy-1-(3-methylphenyl)propan-1-one?
The IUPAC name of 3-[4-(dimethylamino)phenyl]-2-hydroxy-1-(3-methylphenyl)propan-1-one (CID 70453324) is 3-[4-(dimethylamino)phenyl]-2-hydroxy-1-(3-methylphenyl)propan-1-one.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]-2-hydroxy-1-(3-methylphenyl)propan-1-one?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]-2-hydroxy-1-(3-methylphenyl)propan-1-one is Cc1cccc(C(=O)C(O)Cc2ccc(N(C)C)cc2)c1.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]-2-hydroxy-1-(3-methylphenyl)propan-1-one?
The InChIKey is KYCXIZBSISACJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-13-5-4-6-15(11-13)18(21)17(20)12-14-7-9-16(10-8-14)19(2)3/h4-11,17,20H,12H2,1-3H3.
What are the key properties of 3-[4-(dimethylamino)phenyl]-2-hydroxy-1-(3-methylphenyl)propan-1-one?
3-[4-(dimethylamino)phenyl]-2-hydroxy-1-(3-methylphenyl)propan-1-one has a molecular weight of 283.37 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)phenyl]-2-hydroxy-1-(3-methylphenyl)propan-1-one is sourced from PubChem (CID 70453324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).