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

C19H17NO3 — CID 136502281

IUPAC4-[6-(3,4-dimethoxyphenyl)-2-pyridinyl]phenol
SMILESCOc1ccc(-c2cccc(-c3ccc(O)cc3)n2)cc1OC
InChIInChI=1S/C19H17NO3/c1-22-18-11-8-14(12-19(18)23-2)17-5-3-4-16(20-17)13-6-9-15(21)10-7-13/h3-12,21H,1-2H3
InChIKeyFKMNPMNVJCOYNQ-UHFFFAOYSA-N
MW307.35 g/mol
LogP4.14
Rot. Bonds4

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

4-[6-(3,4-dimethoxyphenyl)-2-pyridinyl]phenol (PubChem CID 136502281) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-[6-(3,4-dimethoxyphenyl)-2-pyridinyl]phenol.

Molecular Properties

Compound Name4-[6-(3,4-dimethoxyphenyl)-2-pyridinyl]phenol
PubChem CID136502281
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name4-[6-(3,4-dimethoxyphenyl)-2-pyridinyl]phenol
SMILESCOc1ccc(-c2cccc(-c3ccc(O)cc3)n2)cc1OC
InChIInChI=1S/C19H17NO3/c1-22-18-11-8-14(12-19(18)23-2)17-5-3-4-16(20-17)13-6-9-15(21)10-7-13/h3-12,21H,1-2H3
InChIKeyFKMNPMNVJCOYNQ-UHFFFAOYSA-N
XLogP4.14
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(3,4-dimethoxyphenyl)-2-pyridinyl]phenol?
The IUPAC name of 4-[6-(3,4-dimethoxyphenyl)-2-pyridinyl]phenol (CID 136502281) is 4-[6-(3,4-dimethoxyphenyl)-2-pyridinyl]phenol.
What is the SMILES notation for 4-[6-(3,4-dimethoxyphenyl)-2-pyridinyl]phenol?
The canonical SMILES for 4-[6-(3,4-dimethoxyphenyl)-2-pyridinyl]phenol is COc1ccc(-c2cccc(-c3ccc(O)cc3)n2)cc1OC.
What is the InChIKey of 4-[6-(3,4-dimethoxyphenyl)-2-pyridinyl]phenol?
The InChIKey is FKMNPMNVJCOYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-22-18-11-8-14(12-19(18)23-2)17-5-3-4-16(20-17)13-6-9-15(21)10-7-13/h3-12,21H,1-2H3.
What are the key properties of 4-[6-(3,4-dimethoxyphenyl)-2-pyridinyl]phenol?
4-[6-(3,4-dimethoxyphenyl)-2-pyridinyl]phenol has a molecular weight of 307.35 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3,4-dimethoxyphenyl)-2-pyridinyl]phenol is sourced from PubChem (CID 136502281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).