(3-methoxyphenyl)-dipyridin-2-ylmethanol;dihydrochloride

C18H18Cl2N2O2 — CID 90485685

IUPAC(3-methoxyphenyl)-dipyridin-2-ylmethanol;dihydrochloride
SMILESCOc1cccc(C(O)(c2ccccn2)c2ccccn2)c1.Cl.Cl
InChIInChI=1S/C18H16N2O2.2ClH/c1-22-15-8-6-7-14(13-15)18(21,16-9-2-4-11-19-16)17-10-3-5-12-20-17;;/h2-13,21H,1H3;2*1H
InChIKeyUGQOASHOLWVFGK-UHFFFAOYSA-N
MW365.26 g/mol
LogP3.61
Rot. Bonds4

About (3-methoxyphenyl)-dipyridin-2-ylmethanol;dihydrochloride

(3-methoxyphenyl)-dipyridin-2-ylmethanol;dihydrochloride (PubChem CID 90485685) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is (3-methoxyphenyl)-dipyridin-2-ylmethanol;dihydrochloride.

Molecular Properties

Compound Name(3-methoxyphenyl)-dipyridin-2-ylmethanol;dihydrochloride
PubChem CID90485685
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC Name(3-methoxyphenyl)-dipyridin-2-ylmethanol;dihydrochloride
SMILESCOc1cccc(C(O)(c2ccccn2)c2ccccn2)c1.Cl.Cl
InChIInChI=1S/C18H16N2O2.2ClH/c1-22-15-8-6-7-14(13-15)18(21,16-9-2-4-11-19-16)17-10-3-5-12-20-17;;/h2-13,21H,1H3;2*1H
InChIKeyUGQOASHOLWVFGK-UHFFFAOYSA-N
XLogP3.61
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methylphenyl)-dipyridin-2-ylmethanol
CID 102429011
bis(3-methoxyphenyl)-(4-methylphenyl)methanol
CID 2758428
(2S,3S)-2,3-bis(3-methoxyphenyl)butane-2,3-diol
CID 101270093
1-(3-methoxyphenyl)-1-phenylethanol
CID 15680503
(1S)-1-(3-methoxyphenyl)-1-phenylethanol
CID 29415940
1-fluoro-1-(3-methoxyphenyl)ethanol
CID 174577353
1-(3-methoxyphenyl)-1-quinolin-3-ylethanol
CID 60924847
2-[1-(3-chlorophenyl)-1-phenylethyl]pyridine;(3-chlorophenyl)-phenyl-pyridin-2-ylmethanol
CID 163594818
(4-chlorophenyl)-dipyridin-2-ylmethanol
CID 142751464
(2S)-1,1,1-trifluoro-2-(3-methoxyphenyl)propan-2-ol
CID 166750619
4-methoxy-2-(2-phenylpropan-2-yl)pyridine
CID 132599217
(1S)-1-(4-methoxyphenyl)-3-methyl-1-pyridin-2-ylbutan-1-ol
CID 129364593

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-dipyridin-2-ylmethanol;dihydrochloride?
The IUPAC name of (3-methoxyphenyl)-dipyridin-2-ylmethanol;dihydrochloride (CID 90485685) is (3-methoxyphenyl)-dipyridin-2-ylmethanol;dihydrochloride.
What is the SMILES notation for (3-methoxyphenyl)-dipyridin-2-ylmethanol;dihydrochloride?
The canonical SMILES for (3-methoxyphenyl)-dipyridin-2-ylmethanol;dihydrochloride is COc1cccc(C(O)(c2ccccn2)c2ccccn2)c1.Cl.Cl.
What is the InChIKey of (3-methoxyphenyl)-dipyridin-2-ylmethanol;dihydrochloride?
The InChIKey is UGQOASHOLWVFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2.2ClH/c1-22-15-8-6-7-14(13-15)18(21,16-9-2-4-11-19-16)17-10-3-5-12-20-17;;/h2-13,21H,1H3;2*1H.
What are the key properties of (3-methoxyphenyl)-dipyridin-2-ylmethanol;dihydrochloride?
(3-methoxyphenyl)-dipyridin-2-ylmethanol;dihydrochloride has a molecular weight of 365.26 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-dipyridin-2-ylmethanol;dihydrochloride is sourced from PubChem (CID 90485685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).