3-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]propan-1-ol

C17H21NO4 — CID 18674981

IUPAC3-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]propan-1-ol
SMILESCOc1cc(-c2ncccc2CCCO)cc(OC)c1OC
InChIInChI=1S/C17H21NO4/c1-20-14-10-13(11-15(21-2)17(14)22-3)16-12(7-5-9-19)6-4-8-18-16/h4,6,8,10-11,19H,5,7,9H2,1-3H3
InChIKeyNLQRRMXSOJQERA-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.70
Rot. Bonds7

About 3-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]propan-1-ol

3-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]propan-1-ol (PubChem CID 18674981) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is 3-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name3-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]propan-1-ol
PubChem CID18674981
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name3-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]propan-1-ol
SMILESCOc1cc(-c2ncccc2CCCO)cc(OC)c1OC
InChIInChI=1S/C17H21NO4/c1-20-14-10-13(11-15(21-2)17(14)22-3)16-12(7-5-9-19)6-4-8-18-16/h4,6,8,10-11,19H,5,7,9H2,1-3H3
InChIKeyNLQRRMXSOJQERA-UHFFFAOYSA-N
XLogP2.70
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]propan-1-ol 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 3-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]propan-1-ol?
The IUPAC name of 3-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]propan-1-ol (CID 18674981) is 3-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]propan-1-ol.
What is the SMILES notation for 3-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]propan-1-ol?
The canonical SMILES for 3-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]propan-1-ol is COc1cc(-c2ncccc2CCCO)cc(OC)c1OC.
What is the InChIKey of 3-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]propan-1-ol?
The InChIKey is NLQRRMXSOJQERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-20-14-10-13(11-15(21-2)17(14)22-3)16-12(7-5-9-19)6-4-8-18-16/h4,6,8,10-11,19H,5,7,9H2,1-3H3.
What are the key properties of 3-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]propan-1-ol?
3-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]propan-1-ol has a molecular weight of 303.36 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]propan-1-ol is sourced from PubChem (CID 18674981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).