(3-bromo-6-phenylpyridazin-4-yl)-(4-methoxyphenyl)methanol

C18H15BrN2O2 — CID 11462867

IUPAC(3-bromo-6-phenylpyridazin-4-yl)-(4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2cc(-c3ccccc3)nnc2Br)cc1
InChIInChI=1S/C18H15BrN2O2/c1-23-14-9-7-13(8-10-14)17(22)15-11-16(20-21-18(15)19)12-5-3-2-4-6-12/h2-11,17,22H,1H3
InChIKeyOZTWTQSZCNBQLU-UHFFFAOYSA-N
MW371.23 g/mol
LogP4.00
Rot. Bonds4

About (3-bromo-6-phenylpyridazin-4-yl)-(4-methoxyphenyl)methanol

(3-bromo-6-phenylpyridazin-4-yl)-(4-methoxyphenyl)methanol (PubChem CID 11462867) has the molecular formula C18H15BrN2O2 and a molecular weight of 371.23 g/mol. Its IUPAC name is (3-bromo-6-phenylpyridazin-4-yl)-(4-methoxyphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-6-phenylpyridazin-4-yl)-(4-methoxyphenyl)methanol
PubChem CID11462867
Molecular FormulaC18H15BrN2O2
Molecular Weight371.23 g/mol
Exact Mass370.03
IUPAC Name(3-bromo-6-phenylpyridazin-4-yl)-(4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2cc(-c3ccccc3)nnc2Br)cc1
InChIInChI=1S/C18H15BrN2O2/c1-23-14-9-7-13(8-10-14)17(22)15-11-16(20-21-18(15)19)12-5-3-2-4-6-12/h2-11,17,22H,1H3
InChIKeyOZTWTQSZCNBQLU-UHFFFAOYSA-N
XLogP4.00
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-6-phenylpyridazin-4-yl)-(4-methoxyphenyl)methanol?
The IUPAC name of (3-bromo-6-phenylpyridazin-4-yl)-(4-methoxyphenyl)methanol (CID 11462867) is (3-bromo-6-phenylpyridazin-4-yl)-(4-methoxyphenyl)methanol.
What is the SMILES notation for (3-bromo-6-phenylpyridazin-4-yl)-(4-methoxyphenyl)methanol?
The canonical SMILES for (3-bromo-6-phenylpyridazin-4-yl)-(4-methoxyphenyl)methanol is COc1ccc(C(O)c2cc(-c3ccccc3)nnc2Br)cc1.
What is the InChIKey of (3-bromo-6-phenylpyridazin-4-yl)-(4-methoxyphenyl)methanol?
The InChIKey is OZTWTQSZCNBQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O2/c1-23-14-9-7-13(8-10-14)17(22)15-11-16(20-21-18(15)19)12-5-3-2-4-6-12/h2-11,17,22H,1H3.
What are the key properties of (3-bromo-6-phenylpyridazin-4-yl)-(4-methoxyphenyl)methanol?
(3-bromo-6-phenylpyridazin-4-yl)-(4-methoxyphenyl)methanol has a molecular weight of 371.23 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-6-phenylpyridazin-4-yl)-(4-methoxyphenyl)methanol is sourced from PubChem (CID 11462867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).