1-phenoxy-3-[2-[(E)-prop-1-enyl]-5-(pyrazol-1-ylmethyl)phenoxy]propan-2-ol

C22H24N2O3 — CID 141063849

IUPAC1-phenoxy-3-[2-[(E)-prop-1-enyl]-5-(pyrazol-1-ylmethyl)phenoxy]propan-2-ol
SMILESC/C=C/c1ccc(Cn2cccn2)cc1OCC(O)COc1ccccc1
InChIInChI=1S/C22H24N2O3/c1-2-7-19-11-10-18(15-24-13-6-12-23-24)14-22(19)27-17-20(25)16-26-21-8-4-3-5-9-21/h2-14,20,25H,15-17H2,1H3/b7-2+
InChIKeyGFJRXLSZKAZVOG-FARCUNLSSA-N
MW364.45 g/mol
LogP3.78
Rot. Bonds9

About 1-phenoxy-3-[2-[(E)-prop-1-enyl]-5-(pyrazol-1-ylmethyl)phenoxy]propan-2-ol

1-phenoxy-3-[2-[(E)-prop-1-enyl]-5-(pyrazol-1-ylmethyl)phenoxy]propan-2-ol (PubChem CID 141063849) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-phenoxy-3-[2-[(E)-prop-1-enyl]-5-(pyrazol-1-ylmethyl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-phenoxy-3-[2-[(E)-prop-1-enyl]-5-(pyrazol-1-ylmethyl)phenoxy]propan-2-ol
PubChem CID141063849
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name1-phenoxy-3-[2-[(E)-prop-1-enyl]-5-(pyrazol-1-ylmethyl)phenoxy]propan-2-ol
SMILESC/C=C/c1ccc(Cn2cccn2)cc1OCC(O)COc1ccccc1
InChIInChI=1S/C22H24N2O3/c1-2-7-19-11-10-18(15-24-13-6-12-23-24)14-22(19)27-17-20(25)16-26-21-8-4-3-5-9-21/h2-14,20,25H,15-17H2,1H3/b7-2+
InChIKeyGFJRXLSZKAZVOG-FARCUNLSSA-N
XLogP3.78
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-(4-phenylphenoxy)-3-pyrazol-1-ylpropan-2-ol
CID 40793174
1-[3-(2-hydroxy-3-pyrazol-1-ylpropoxy)phenyl]ethanone
CID 109411614
1-[benzyl(methyl)amino]-3-[4-[(2-pyrazol-1-ylethylamino)methyl]phenoxy]propan-2-ol
CID 45241369
(2R)-1-(2-methylimidazol-1-yl)-3-phenoxypropan-2-ol
CID 696935
bis((E)-but-2-ene);cumene;1,3-diphenoxypropan-2-ol;phenol
CID 164982615
1-(4-fluorophenoxy)-3-pyrazol-1-ylpropan-2-ol
CID 109411608
1-[(2E,4Z)-hexa-2,4-dien-2-yl]oxy-3-phenoxypropan-2-ol
CID 129159331
1-[2-[(E)-prop-1-enyl]phenoxy]tetradecan-2-ol
CID 155122599
1-(2,4-difluorophenoxy)-3-phenoxypropan-2-ol
CID 109415416
3-[2-propoxy-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid
CID 174458821
1-naphthalen-2-yl-2-[2-propyl-5-(pyrazol-1-ylmethyl)phenoxy]ethanone
CID 142213877
1,1-diphenyl-N-[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]methanimine
CID 165134114

Frequently Asked Questions

What is the IUPAC name of 1-phenoxy-3-[2-[(E)-prop-1-enyl]-5-(pyrazol-1-ylmethyl)phenoxy]propan-2-ol?
The IUPAC name of 1-phenoxy-3-[2-[(E)-prop-1-enyl]-5-(pyrazol-1-ylmethyl)phenoxy]propan-2-ol (CID 141063849) is 1-phenoxy-3-[2-[(E)-prop-1-enyl]-5-(pyrazol-1-ylmethyl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-phenoxy-3-[2-[(E)-prop-1-enyl]-5-(pyrazol-1-ylmethyl)phenoxy]propan-2-ol?
The canonical SMILES for 1-phenoxy-3-[2-[(E)-prop-1-enyl]-5-(pyrazol-1-ylmethyl)phenoxy]propan-2-ol is C/C=C/c1ccc(Cn2cccn2)cc1OCC(O)COc1ccccc1.
What is the InChIKey of 1-phenoxy-3-[2-[(E)-prop-1-enyl]-5-(pyrazol-1-ylmethyl)phenoxy]propan-2-ol?
The InChIKey is GFJRXLSZKAZVOG-FARCUNLSSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-2-7-19-11-10-18(15-24-13-6-12-23-24)14-22(19)27-17-20(25)16-26-21-8-4-3-5-9-21/h2-14,20,25H,15-17H2,1H3/b7-2+.
What are the key properties of 1-phenoxy-3-[2-[(E)-prop-1-enyl]-5-(pyrazol-1-ylmethyl)phenoxy]propan-2-ol?
1-phenoxy-3-[2-[(E)-prop-1-enyl]-5-(pyrazol-1-ylmethyl)phenoxy]propan-2-ol has a molecular weight of 364.45 g/mol, XLogP of 3.78, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxy-3-[2-[(E)-prop-1-enyl]-5-(pyrazol-1-ylmethyl)phenoxy]propan-2-ol is sourced from PubChem (CID 141063849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).