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

C17H21NO4 — CID 18674989

IUPAC3-[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]propan-1-ol
SMILESCOc1cc(-c2cc(CCCO)ccn2)cc(OC)c1OC
InChIInChI=1S/C17H21NO4/c1-20-15-10-13(11-16(21-2)17(15)22-3)14-9-12(5-4-8-19)6-7-18-14/h6-7,9-11,19H,4-5,8H2,1-3H3
InChIKeyCSRMLOUXRNDLPV-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.70
Rot. Bonds7

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

3-[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]propan-1-ol (PubChem CID 18674989) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is 3-[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name3-[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]propan-1-ol
PubChem CID18674989
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name3-[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]propan-1-ol
SMILESCOc1cc(-c2cc(CCCO)ccn2)cc(OC)c1OC
InChIInChI=1S/C17H21NO4/c1-20-15-10-13(11-16(21-2)17(15)22-3)14-9-12(5-4-8-19)6-7-18-14/h6-7,9-11,19H,4-5,8H2,1-3H3
InChIKeyCSRMLOUXRNDLPV-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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]propan-1-ol?
The IUPAC name of 3-[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]propan-1-ol (CID 18674989) is 3-[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]propan-1-ol.
What is the SMILES notation for 3-[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]propan-1-ol?
The canonical SMILES for 3-[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]propan-1-ol is COc1cc(-c2cc(CCCO)ccn2)cc(OC)c1OC.
What is the InChIKey of 3-[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]propan-1-ol?
The InChIKey is CSRMLOUXRNDLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-20-15-10-13(11-16(21-2)17(15)22-3)14-9-12(5-4-8-19)6-7-18-14/h6-7,9-11,19H,4-5,8H2,1-3H3.
What are the key properties of 3-[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]propan-1-ol?
3-[2-(3,4,5-trimethoxyphenyl)-4-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)-4-pyridinyl]propan-1-ol is sourced from PubChem (CID 18674989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).