4-[4-[6-(dimethoxymethyl)-3-pyridinyl]phenyl]phenol

C20H19NO3 — CID 166386257

IUPAC4-[4-[6-(dimethoxymethyl)-3-pyridinyl]phenyl]phenol
SMILESCOC(OC)c1ccc(-c2ccc(-c3ccc(O)cc3)cc2)cn1
InChIInChI=1S/C20H19NO3/c1-23-20(24-2)19-12-9-17(13-21-19)16-5-3-14(4-6-16)15-7-10-18(22)11-8-15/h3-13,20,22H,1-2H3
InChIKeyNEWDYAIBMNFPAY-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.41
Rot. Bonds5

About 4-[4-[6-(dimethoxymethyl)-3-pyridinyl]phenyl]phenol

4-[4-[6-(dimethoxymethyl)-3-pyridinyl]phenyl]phenol (PubChem CID 166386257) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-[4-[6-(dimethoxymethyl)-3-pyridinyl]phenyl]phenol.

Molecular Properties

Compound Name4-[4-[6-(dimethoxymethyl)-3-pyridinyl]phenyl]phenol
PubChem CID166386257
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name4-[4-[6-(dimethoxymethyl)-3-pyridinyl]phenyl]phenol
SMILESCOC(OC)c1ccc(-c2ccc(-c3ccc(O)cc3)cc2)cn1
InChIInChI=1S/C20H19NO3/c1-23-20(24-2)19-12-9-17(13-21-19)16-5-3-14(4-6-16)15-7-10-18(22)11-8-15/h3-13,20,22H,1-2H3
InChIKeyNEWDYAIBMNFPAY-UHFFFAOYSA-N
XLogP4.41
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-[4-[6-(dimethoxymethyl)-3-pyridinyl]phenyl]phenol 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-[4-[6-(dimethoxymethyl)-3-pyridinyl]phenyl]phenol?
The IUPAC name of 4-[4-[6-(dimethoxymethyl)-3-pyridinyl]phenyl]phenol (CID 166386257) is 4-[4-[6-(dimethoxymethyl)-3-pyridinyl]phenyl]phenol.
What is the SMILES notation for 4-[4-[6-(dimethoxymethyl)-3-pyridinyl]phenyl]phenol?
The canonical SMILES for 4-[4-[6-(dimethoxymethyl)-3-pyridinyl]phenyl]phenol is COC(OC)c1ccc(-c2ccc(-c3ccc(O)cc3)cc2)cn1.
What is the InChIKey of 4-[4-[6-(dimethoxymethyl)-3-pyridinyl]phenyl]phenol?
The InChIKey is NEWDYAIBMNFPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-23-20(24-2)19-12-9-17(13-21-19)16-5-3-14(4-6-16)15-7-10-18(22)11-8-15/h3-13,20,22H,1-2H3.
What are the key properties of 4-[4-[6-(dimethoxymethyl)-3-pyridinyl]phenyl]phenol?
4-[4-[6-(dimethoxymethyl)-3-pyridinyl]phenyl]phenol has a molecular weight of 321.38 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-(dimethoxymethyl)-3-pyridinyl]phenyl]phenol is sourced from PubChem (CID 166386257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).