[4-(dimethylamino)phenyl]-(2-hydroxy-3,4,5-trimethoxyphenyl)methanone

C18H21NO5 — CID 90670321

IUPAC[4-(dimethylamino)phenyl]-(2-hydroxy-3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2ccc(N(C)C)cc2)c(O)c(OC)c1OC
InChIInChI=1S/C18H21NO5/c1-19(2)12-8-6-11(7-9-12)15(20)13-10-14(22-3)17(23-4)18(24-5)16(13)21/h6-10,21H,1-5H3
InChIKeyQRVPEYUMXRSLAA-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.71
Rot. Bonds6

About [4-(dimethylamino)phenyl]-(2-hydroxy-3,4,5-trimethoxyphenyl)methanone

[4-(dimethylamino)phenyl]-(2-hydroxy-3,4,5-trimethoxyphenyl)methanone (PubChem CID 90670321) has the molecular formula C18H21NO5 and a molecular weight of 331.37 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl]-(2-hydroxy-3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(dimethylamino)phenyl]-(2-hydroxy-3,4,5-trimethoxyphenyl)methanone
PubChem CID90670321
Molecular FormulaC18H21NO5
Molecular Weight331.37 g/mol
Exact Mass331.14
IUPAC Name[4-(dimethylamino)phenyl]-(2-hydroxy-3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2ccc(N(C)C)cc2)c(O)c(OC)c1OC
InChIInChI=1S/C18H21NO5/c1-19(2)12-8-6-11(7-9-12)15(20)13-10-14(22-3)17(23-4)18(24-5)16(13)21/h6-10,21H,1-5H3
InChIKeyQRVPEYUMXRSLAA-UHFFFAOYSA-N
XLogP2.71
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-(dimethylamino)phenyl]-(2-hydroxy-3,4,5-trimethoxyphenyl)methanone 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 [4-(dimethylamino)phenyl]-(2-hydroxy-3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [4-(dimethylamino)phenyl]-(2-hydroxy-3,4,5-trimethoxyphenyl)methanone (CID 90670321) is [4-(dimethylamino)phenyl]-(2-hydroxy-3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [4-(dimethylamino)phenyl]-(2-hydroxy-3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [4-(dimethylamino)phenyl]-(2-hydroxy-3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2ccc(N(C)C)cc2)c(O)c(OC)c1OC.
What is the InChIKey of [4-(dimethylamino)phenyl]-(2-hydroxy-3,4,5-trimethoxyphenyl)methanone?
The InChIKey is QRVPEYUMXRSLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5/c1-19(2)12-8-6-11(7-9-12)15(20)13-10-14(22-3)17(23-4)18(24-5)16(13)21/h6-10,21H,1-5H3.
What are the key properties of [4-(dimethylamino)phenyl]-(2-hydroxy-3,4,5-trimethoxyphenyl)methanone?
[4-(dimethylamino)phenyl]-(2-hydroxy-3,4,5-trimethoxyphenyl)methanone has a molecular weight of 331.37 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)phenyl]-(2-hydroxy-3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 90670321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).