(2S)-3-[4-(6-chloropyridazin-3-yl)phenoxy]-2-methylpropan-1-ol

C14H15ClN2O2 — CID 58034225

IUPAC(2S)-3-[4-(6-chloropyridazin-3-yl)phenoxy]-2-methylpropan-1-ol
SMILESC[C@@H](CO)COc1ccc(-c2ccc(Cl)nn2)cc1
InChIInChI=1S/C14H15ClN2O2/c1-10(8-18)9-19-12-4-2-11(3-5-12)13-6-7-14(15)17-16-13/h2-7,10,18H,8-9H2,1H3/t10-/m0/s1
InChIKeyBZBBOOQYPQZMGX-JTQLQIEISA-N
MW278.74 g/mol
LogP2.80
Rot. Bonds5

About (2S)-3-[4-(6-chloropyridazin-3-yl)phenoxy]-2-methylpropan-1-ol

(2S)-3-[4-(6-chloropyridazin-3-yl)phenoxy]-2-methylpropan-1-ol (PubChem CID 58034225) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is (2S)-3-[4-(6-chloropyridazin-3-yl)phenoxy]-2-methylpropan-1-ol.

Molecular Properties

Compound Name(2S)-3-[4-(6-chloropyridazin-3-yl)phenoxy]-2-methylpropan-1-ol
PubChem CID58034225
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name(2S)-3-[4-(6-chloropyridazin-3-yl)phenoxy]-2-methylpropan-1-ol
SMILESC[C@@H](CO)COc1ccc(-c2ccc(Cl)nn2)cc1
InChIInChI=1S/C14H15ClN2O2/c1-10(8-18)9-19-12-4-2-11(3-5-12)13-6-7-14(15)17-16-13/h2-7,10,18H,8-9H2,1H3/t10-/m0/s1
InChIKeyBZBBOOQYPQZMGX-JTQLQIEISA-N
XLogP2.80
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-ethoxyphenoxy)-2-methylpropan-1-ol
CID 112507833
3-chloro-6-[4-(trifluoromethoxy)phenyl]pyridazine
CID 43583892
(2R)-2-methyl-3-[4-(4-octoxyphenyl)phenoxy]propan-1-ol
CID 54305802
3-(4-chloro-3-fluorophenoxy)-2-methylpropan-1-ol
CID 115871138
3-(3-chlorophenoxy)-2-methylpropan-1-ol
CID 82076436
3-chloro-6-[4-[3-methyl-2-[4-(pyridin-2-ylmethoxy)phenyl]butan-2-yl]phenyl]pyridazine
CID 59416741
3-[4-[[4-(3-hydroxy-2-methylpropoxy)phenyl]methyl]phenoxy]propane-1,2-diol
CID 70897892
3-[4-(bromomethyl)phenyl]-6-chloropyridazine
CID 139833928
3-(4-dodecoxyphenyl)-6-(2-methylbutoxy)pyridazine;3-(2-methylbutoxy)-6-(4-undecoxyphenyl)pyridazine
CID 70427294
3,6-bis(4-decoxyphenyl)pyridazine
CID 101171713
[2-methyl-6-[4-(2-methylpropoxy)phenyl]-3-pyridinyl]methanol
CID 82453206
5-butoxy-2-[4-(2-methylbutoxy)phenyl]pyridine
CID 23180662

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[4-(6-chloropyridazin-3-yl)phenoxy]-2-methylpropan-1-ol?
The IUPAC name of (2S)-3-[4-(6-chloropyridazin-3-yl)phenoxy]-2-methylpropan-1-ol (CID 58034225) is (2S)-3-[4-(6-chloropyridazin-3-yl)phenoxy]-2-methylpropan-1-ol.
What is the SMILES notation for (2S)-3-[4-(6-chloropyridazin-3-yl)phenoxy]-2-methylpropan-1-ol?
The canonical SMILES for (2S)-3-[4-(6-chloropyridazin-3-yl)phenoxy]-2-methylpropan-1-ol is C[C@@H](CO)COc1ccc(-c2ccc(Cl)nn2)cc1.
What is the InChIKey of (2S)-3-[4-(6-chloropyridazin-3-yl)phenoxy]-2-methylpropan-1-ol?
The InChIKey is BZBBOOQYPQZMGX-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-10(8-18)9-19-12-4-2-11(3-5-12)13-6-7-14(15)17-16-13/h2-7,10,18H,8-9H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-3-[4-(6-chloropyridazin-3-yl)phenoxy]-2-methylpropan-1-ol?
(2S)-3-[4-(6-chloropyridazin-3-yl)phenoxy]-2-methylpropan-1-ol has a molecular weight of 278.74 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[4-(6-chloropyridazin-3-yl)phenoxy]-2-methylpropan-1-ol is sourced from PubChem (CID 58034225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).