1-[(2-chlorophenyl)methoxy]-3-(5,6-dimethylpyridazin-3-yl)oxypropan-2-ol

C16H19ClN2O3 — CID 111436524

IUPAC1-[(2-chlorophenyl)methoxy]-3-(5,6-dimethylpyridazin-3-yl)oxypropan-2-ol
SMILESCc1cc(OCC(O)COCc2ccccc2Cl)nnc1C
InChIInChI=1S/C16H19ClN2O3/c1-11-7-16(19-18-12(11)2)22-10-14(20)9-21-8-13-5-3-4-6-15(13)17/h3-7,14,20H,8-10H2,1-2H3
InChIKeyBETSQOQQXZTRFK-UHFFFAOYSA-N
MW322.79 g/mol
LogP2.70
Rot. Bonds7

About 1-[(2-chlorophenyl)methoxy]-3-(5,6-dimethylpyridazin-3-yl)oxypropan-2-ol

1-[(2-chlorophenyl)methoxy]-3-(5,6-dimethylpyridazin-3-yl)oxypropan-2-ol (PubChem CID 111436524) has the molecular formula C16H19ClN2O3 and a molecular weight of 322.79 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methoxy]-3-(5,6-dimethylpyridazin-3-yl)oxypropan-2-ol.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methoxy]-3-(5,6-dimethylpyridazin-3-yl)oxypropan-2-ol
PubChem CID111436524
Molecular FormulaC16H19ClN2O3
Molecular Weight322.79 g/mol
Exact Mass322.11
IUPAC Name1-[(2-chlorophenyl)methoxy]-3-(5,6-dimethylpyridazin-3-yl)oxypropan-2-ol
SMILESCc1cc(OCC(O)COCc2ccccc2Cl)nnc1C
InChIInChI=1S/C16H19ClN2O3/c1-11-7-16(19-18-12(11)2)22-10-14(20)9-21-8-13-5-3-4-6-15(13)17/h3-7,14,20H,8-10H2,1-2H3
InChIKeyBETSQOQQXZTRFK-UHFFFAOYSA-N
XLogP2.70
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropoxy]phenyl]ethanone
CID 109414078
[(2R)-3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-di(propan-2-yl)azanium
CID 7830770
(2S)-1-[(2-chlorophenyl)methoxy]-3-(4-ethylpiperazine-1,4-diium-1-yl)propan-2-ol
CID 2124096
1-[(2-chlorophenyl)methoxy]-3-(2-fluoro-6-methoxyphenoxy)propan-2-ol
CID 109416037
1-[(2-chlorophenyl)methoxy]-3-[methyl(2-methylpropyl)amino]propan-2-ol
CID 110909172
1-[(2-chlorophenyl)methoxy]-5-methylhexane-2,5-diol
CID 70569257
1-[(2-chlorophenyl)methoxy]-3-(2-methylpentan-3-ylamino)propan-2-ol
CID 61469297
1-chloro-2-(2-methylpropoxymethyl)benzene
CID 123441834
1-[(2-chlorophenyl)methoxy]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propan-2-ol
CID 61014471
1-[(2-chlorophenyl)methoxy]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propan-2-ol
CID 106398326
1-(butan-2-ylamino)-3-[(2-chlorophenyl)methoxy]propan-2-ol
CID 60633320
1-[(2-chlorophenyl)methoxy]-3-[(1-methoxy-3-methylbutan-2-yl)amino]propan-2-ol
CID 65049569

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methoxy]-3-(5,6-dimethylpyridazin-3-yl)oxypropan-2-ol?
The IUPAC name of 1-[(2-chlorophenyl)methoxy]-3-(5,6-dimethylpyridazin-3-yl)oxypropan-2-ol (CID 111436524) is 1-[(2-chlorophenyl)methoxy]-3-(5,6-dimethylpyridazin-3-yl)oxypropan-2-ol.
What is the SMILES notation for 1-[(2-chlorophenyl)methoxy]-3-(5,6-dimethylpyridazin-3-yl)oxypropan-2-ol?
The canonical SMILES for 1-[(2-chlorophenyl)methoxy]-3-(5,6-dimethylpyridazin-3-yl)oxypropan-2-ol is Cc1cc(OCC(O)COCc2ccccc2Cl)nnc1C.
What is the InChIKey of 1-[(2-chlorophenyl)methoxy]-3-(5,6-dimethylpyridazin-3-yl)oxypropan-2-ol?
The InChIKey is BETSQOQQXZTRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3/c1-11-7-16(19-18-12(11)2)22-10-14(20)9-21-8-13-5-3-4-6-15(13)17/h3-7,14,20H,8-10H2,1-2H3.
What are the key properties of 1-[(2-chlorophenyl)methoxy]-3-(5,6-dimethylpyridazin-3-yl)oxypropan-2-ol?
1-[(2-chlorophenyl)methoxy]-3-(5,6-dimethylpyridazin-3-yl)oxypropan-2-ol has a molecular weight of 322.79 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methoxy]-3-(5,6-dimethylpyridazin-3-yl)oxypropan-2-ol is sourced from PubChem (CID 111436524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).