4-[6-(3,4,5-trimethoxyphenyl)-2-pyridinyl]phenol

C20H19NO4 — CID 136502280

IUPAC4-[6-(3,4,5-trimethoxyphenyl)-2-pyridinyl]phenol
SMILESCOc1cc(-c2cccc(-c3ccc(O)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C20H19NO4/c1-23-18-11-14(12-19(24-2)20(18)25-3)17-6-4-5-16(21-17)13-7-9-15(22)10-8-13/h4-12,22H,1-3H3
InChIKeyLFVYCSZHJLHSID-UHFFFAOYSA-N
MW337.38 g/mol
LogP4.15
Rot. Bonds5

About 4-[6-(3,4,5-trimethoxyphenyl)-2-pyridinyl]phenol

4-[6-(3,4,5-trimethoxyphenyl)-2-pyridinyl]phenol (PubChem CID 136502280) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-[6-(3,4,5-trimethoxyphenyl)-2-pyridinyl]phenol.

Molecular Properties

Compound Name4-[6-(3,4,5-trimethoxyphenyl)-2-pyridinyl]phenol
PubChem CID136502280
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name4-[6-(3,4,5-trimethoxyphenyl)-2-pyridinyl]phenol
SMILESCOc1cc(-c2cccc(-c3ccc(O)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C20H19NO4/c1-23-18-11-14(12-19(24-2)20(18)25-3)17-6-4-5-16(21-17)13-7-9-15(22)10-8-13/h4-12,22H,1-3H3
InChIKeyLFVYCSZHJLHSID-UHFFFAOYSA-N
XLogP4.15
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(3,4,5-trimethoxyphenyl)-2-pyridinyl]phenol?
The IUPAC name of 4-[6-(3,4,5-trimethoxyphenyl)-2-pyridinyl]phenol (CID 136502280) is 4-[6-(3,4,5-trimethoxyphenyl)-2-pyridinyl]phenol.
What is the SMILES notation for 4-[6-(3,4,5-trimethoxyphenyl)-2-pyridinyl]phenol?
The canonical SMILES for 4-[6-(3,4,5-trimethoxyphenyl)-2-pyridinyl]phenol is COc1cc(-c2cccc(-c3ccc(O)cc3)n2)cc(OC)c1OC.
What is the InChIKey of 4-[6-(3,4,5-trimethoxyphenyl)-2-pyridinyl]phenol?
The InChIKey is LFVYCSZHJLHSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-23-18-11-14(12-19(24-2)20(18)25-3)17-6-4-5-16(21-17)13-7-9-15(22)10-8-13/h4-12,22H,1-3H3.
What are the key properties of 4-[6-(3,4,5-trimethoxyphenyl)-2-pyridinyl]phenol?
4-[6-(3,4,5-trimethoxyphenyl)-2-pyridinyl]phenol has a molecular weight of 337.38 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3,4,5-trimethoxyphenyl)-2-pyridinyl]phenol is sourced from PubChem (CID 136502280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).