2-methoxy-5-[3-(7-methoxy-1,3-benzodioxol-5-yl)pyridazin-4-yl]phenol

C19H16N2O5 — CID 172676318

IUPAC2-methoxy-5-[3-(7-methoxy-1,3-benzodioxol-5-yl)pyridazin-4-yl]phenol
SMILESCOc1ccc(-c2ccnnc2-c2cc(OC)c3c(c2)OCO3)cc1O
InChIInChI=1S/C19H16N2O5/c1-23-15-4-3-11(7-14(15)22)13-5-6-20-21-18(13)12-8-16(24-2)19-17(9-12)25-10-26-19/h3-9,22H,10H2,1-2H3
InChIKeyMXEBBAPIHDRXAS-UHFFFAOYSA-N
MW352.35 g/mol
LogP3.26
Rot. Bonds4

About 2-methoxy-5-[3-(7-methoxy-1,3-benzodioxol-5-yl)pyridazin-4-yl]phenol

2-methoxy-5-[3-(7-methoxy-1,3-benzodioxol-5-yl)pyridazin-4-yl]phenol (PubChem CID 172676318) has the molecular formula C19H16N2O5 and a molecular weight of 352.35 g/mol. Its IUPAC name is 2-methoxy-5-[3-(7-methoxy-1,3-benzodioxol-5-yl)pyridazin-4-yl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[3-(7-methoxy-1,3-benzodioxol-5-yl)pyridazin-4-yl]phenol
PubChem CID172676318
Molecular FormulaC19H16N2O5
Molecular Weight352.35 g/mol
Exact Mass352.11
IUPAC Name2-methoxy-5-[3-(7-methoxy-1,3-benzodioxol-5-yl)pyridazin-4-yl]phenol
SMILESCOc1ccc(-c2ccnnc2-c2cc(OC)c3c(c2)OCO3)cc1O
InChIInChI=1S/C19H16N2O5/c1-23-15-4-3-11(7-14(15)22)13-5-6-20-21-18(13)12-8-16(24-2)19-17(9-12)25-10-26-19/h3-9,22H,10H2,1-2H3
InChIKeyMXEBBAPIHDRXAS-UHFFFAOYSA-N
XLogP3.26
TPSA82.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-methoxy-5-[3-(7-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-4-yl]phenyl]acetamide
CID 58712162
2-methoxy-5-[5-(7-methoxy-1,3-benzodioxol-5-yl)-2H-triazol-4-yl]aniline
CID 59430123
2-methoxy-5-[3-(7-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-4-yl]benzoate
CID 58712055
6-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-1,3-benzodioxol-4-ol
CID 172870557
2-methoxy-5-[(Z)-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]benzene-1,3-diol
CID 71459992
3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyridazine
CID 172676310
2-methoxy-5-[5-(7-methoxy-1,3-benzodioxol-5-yl)-1,2-thiazol-3-yl]benzenethiol
CID 90824771
5-[1-(1,3-benzodioxol-5-yl)triazol-4-yl]-2-methoxyphenol
CID 11616568
[5-methoxy-2-[5-(7-methoxy-1,3-benzodioxol-5-yl)-2H-triazol-4-yl]phenyl] dihydrogen phosphate
CID 66678658
5-(7-methoxy-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine
CID 117337654
disodium;[2-methoxy-5-[5-(7-methoxy-1,3-benzodioxol-5-yl)-1,2-thiazol-4-yl]phenyl]sulfanyl-dioxido-oxo-λ5-phosphane
CID 159665485
disodium;[2-methoxy-5-[5-(7-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-4-yl]phenyl]sulfanyl-dioxido-oxo-λ5-phosphane
CID 157462411

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[3-(7-methoxy-1,3-benzodioxol-5-yl)pyridazin-4-yl]phenol?
The IUPAC name of 2-methoxy-5-[3-(7-methoxy-1,3-benzodioxol-5-yl)pyridazin-4-yl]phenol (CID 172676318) is 2-methoxy-5-[3-(7-methoxy-1,3-benzodioxol-5-yl)pyridazin-4-yl]phenol.
What is the SMILES notation for 2-methoxy-5-[3-(7-methoxy-1,3-benzodioxol-5-yl)pyridazin-4-yl]phenol?
The canonical SMILES for 2-methoxy-5-[3-(7-methoxy-1,3-benzodioxol-5-yl)pyridazin-4-yl]phenol is COc1ccc(-c2ccnnc2-c2cc(OC)c3c(c2)OCO3)cc1O.
What is the InChIKey of 2-methoxy-5-[3-(7-methoxy-1,3-benzodioxol-5-yl)pyridazin-4-yl]phenol?
The InChIKey is MXEBBAPIHDRXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5/c1-23-15-4-3-11(7-14(15)22)13-5-6-20-21-18(13)12-8-16(24-2)19-17(9-12)25-10-26-19/h3-9,22H,10H2,1-2H3.
What are the key properties of 2-methoxy-5-[3-(7-methoxy-1,3-benzodioxol-5-yl)pyridazin-4-yl]phenol?
2-methoxy-5-[3-(7-methoxy-1,3-benzodioxol-5-yl)pyridazin-4-yl]phenol has a molecular weight of 352.35 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[3-(7-methoxy-1,3-benzodioxol-5-yl)pyridazin-4-yl]phenol is sourced from PubChem (CID 172676318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).