2-methoxy-4-[(E)-2-[5-[(E)-2-phenylethenyl]-1H-pyrazol-3-yl]ethenyl]phenol

C20H18N2O2 — CID 135453214

IUPAC2-methoxy-4-[(E)-2-[5-[(E)-2-phenylethenyl]-1H-pyrazol-3-yl]ethenyl]phenol
SMILESCOc1cc(/C=C/c2cc(/C=C/c3ccccc3)[nH]n2)ccc1O
InChIInChI=1S/C20H18N2O2/c1-24-20-13-16(9-12-19(20)23)8-11-18-14-17(21-22-18)10-7-15-5-3-2-4-6-15/h2-14,23H,1H3,(H,21,22)/b10-7+,11-8+
InChIKeyCPKHTHXZMOTBNW-AMMQDNIMSA-N
MW318.38 g/mol
LogP4.46
Rot. Bonds5

About 2-methoxy-4-[(E)-2-[5-[(E)-2-phenylethenyl]-1H-pyrazol-3-yl]ethenyl]phenol

2-methoxy-4-[(E)-2-[5-[(E)-2-phenylethenyl]-1H-pyrazol-3-yl]ethenyl]phenol (PubChem CID 135453214) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-methoxy-4-[(E)-2-[5-[(E)-2-phenylethenyl]-1H-pyrazol-3-yl]ethenyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[(E)-2-[5-[(E)-2-phenylethenyl]-1H-pyrazol-3-yl]ethenyl]phenol
PubChem CID135453214
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name2-methoxy-4-[(E)-2-[5-[(E)-2-phenylethenyl]-1H-pyrazol-3-yl]ethenyl]phenol
SMILESCOc1cc(/C=C/c2cc(/C=C/c3ccccc3)[nH]n2)ccc1O
InChIInChI=1S/C20H18N2O2/c1-24-20-13-16(9-12-19(20)23)8-11-18-14-17(21-22-18)10-7-15-5-3-2-4-6-15/h2-14,23H,1H3,(H,21,22)/b10-7+,11-8+
InChIKeyCPKHTHXZMOTBNW-AMMQDNIMSA-N
XLogP4.46
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[5-[(E)-2-(4-chlorophenyl)ethenyl]-1H-pyrazol-3-yl]ethenyl]-2-methoxyphenol
CID 173113837
4-[(E)-2-[5-[(E)-2-(2,4-difluorophenyl)ethenyl]-1H-pyrazol-3-yl]ethenyl]-2-methoxyphenol
CID 135453075
4-[(E)-2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-methoxyphenol
CID 11406193
4-[(E)-2-(5-butyl-1H-pyrazol-3-yl)ethenyl]-2-methoxyphenol
CID 142077434
4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2-methoxyphenol
CID 10377070
2-methoxy-5-[(Z)-2-phenylethenyl]phenol
CID 6473980
(1E)-1-(4-hydroxy-3-methoxyphenyl)-7-phenylhepta-1,6-diene-3,5-dione
CID 141082674
4-[(E)-2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1,2-oxazol-5-yl]ethenyl]-2-methoxyphenol
CID 135923992
2-(benzyliminomethyl)-4-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenol
CID 136947963
benzene;(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 174945129
4-[2-(2-ethylphenyl)ethenyl]-2-methoxyphenol
CID 175950011
(E)-1-(4-hydroxy-3-methoxyphenyl)-5-phenylpent-1-en-3-one
CID 11550934

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(E)-2-[5-[(E)-2-phenylethenyl]-1H-pyrazol-3-yl]ethenyl]phenol?
The IUPAC name of 2-methoxy-4-[(E)-2-[5-[(E)-2-phenylethenyl]-1H-pyrazol-3-yl]ethenyl]phenol (CID 135453214) is 2-methoxy-4-[(E)-2-[5-[(E)-2-phenylethenyl]-1H-pyrazol-3-yl]ethenyl]phenol.
What is the SMILES notation for 2-methoxy-4-[(E)-2-[5-[(E)-2-phenylethenyl]-1H-pyrazol-3-yl]ethenyl]phenol?
The canonical SMILES for 2-methoxy-4-[(E)-2-[5-[(E)-2-phenylethenyl]-1H-pyrazol-3-yl]ethenyl]phenol is COc1cc(/C=C/c2cc(/C=C/c3ccccc3)[nH]n2)ccc1O.
What is the InChIKey of 2-methoxy-4-[(E)-2-[5-[(E)-2-phenylethenyl]-1H-pyrazol-3-yl]ethenyl]phenol?
The InChIKey is CPKHTHXZMOTBNW-AMMQDNIMSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-24-20-13-16(9-12-19(20)23)8-11-18-14-17(21-22-18)10-7-15-5-3-2-4-6-15/h2-14,23H,1H3,(H,21,22)/b10-7+,11-8+.
What are the key properties of 2-methoxy-4-[(E)-2-[5-[(E)-2-phenylethenyl]-1H-pyrazol-3-yl]ethenyl]phenol?
2-methoxy-4-[(E)-2-[5-[(E)-2-phenylethenyl]-1H-pyrazol-3-yl]ethenyl]phenol has a molecular weight of 318.38 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(E)-2-[5-[(E)-2-phenylethenyl]-1H-pyrazol-3-yl]ethenyl]phenol is sourced from PubChem (CID 135453214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).