2-ethenyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)cyclohexen-1-yl]methoxy]phenol

C21H26N2O2 — CID 90444133

IUPAC2-ethenyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)cyclohexen-1-yl]methoxy]phenol
SMILESC=Cc1c(O)cccc1OCC1=C(c2ccnn2C(C)C)CCCC1
InChIInChI=1S/C21H26N2O2/c1-4-17-20(24)10-7-11-21(17)25-14-16-8-5-6-9-18(16)19-12-13-22-23(19)15(2)3/h4,7,10-13,15,24H,1,5-6,8-9,14H2,2-3H3
InChIKeyHFPTZMDDEHARDC-UHFFFAOYSA-N
MW338.45 g/mol
LogP5.22
Rot. Bonds6

About 2-ethenyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)cyclohexen-1-yl]methoxy]phenol

2-ethenyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)cyclohexen-1-yl]methoxy]phenol (PubChem CID 90444133) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-ethenyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)cyclohexen-1-yl]methoxy]phenol.

Molecular Properties

Compound Name2-ethenyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)cyclohexen-1-yl]methoxy]phenol
PubChem CID90444133
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2-ethenyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)cyclohexen-1-yl]methoxy]phenol
SMILESC=Cc1c(O)cccc1OCC1=C(c2ccnn2C(C)C)CCCC1
InChIInChI=1S/C21H26N2O2/c1-4-17-20(24)10-7-11-21(17)25-14-16-8-5-6-9-18(16)19-12-13-22-23(19)15(2)3/h4,7,10-13,15,24H,1,5-6,8-9,14H2,2-3H3
InChIKeyHFPTZMDDEHARDC-UHFFFAOYSA-N
XLogP5.22
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.45
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-6-[[2-methyl-5-(2-propan-2-ylpyrazol-3-yl)-1,2,3,6-tetrahydropyridin-4-yl]methoxy]benzaldehyde
CID 90456903
5-[[2-(2-propan-2-ylpyrazol-3-yl)cyclohexen-1-yl]methoxy]-3H-isoindole-4-carbaldehyde
CID 118372104
2-[[2-acetyl-5-(2-propan-2-ylpyrazol-3-yl)-1,2,3,6-tetrahydropyridin-4-yl]methoxy]-6-hydroxybenzaldehyde
CID 90456754
2-hydroxy-6-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]cyclohexen-1-yl]methoxy]benzaldehyde
CID 90434196
2-fluoro-6-[[5-(2-propan-2-ylpyrazol-3-yl)-1,2,3,6-tetrahydropyridin-4-yl]methoxy]benzaldehyde
CID 90448278
ethane;2-hydroxy-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde
CID 145401287
dipotassium;4-(chloromethyl)-1-methyl-5-(2-propan-2-ylpyrazol-3-yl)-3,6-dihydro-2H-pyridine;deuterio(fluoro)methane;2,6-dihydroxybenzaldehyde;hydride;2-hydroxy-6-[[1-methyl-5-(2-propan-2-ylpyrazol-3-yl)-3,6-dihydro-2H-pyridin-4-yl]methoxy]benzaldehyde;oxido formate
CID 161341060
3-chloro-6-[[2-[2-(2,2-difluoroethyl)pyrazol-3-yl]cyclohexen-1-yl]methoxy]-2-hydroxybenzaldehyde
CID 90427242
3-(chloromethyl)-2-(2-propan-2-ylpyrazol-3-yl)pyridine;2,6-dihydroxybenzaldehyde;2-hydroxy-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde;hydrochloride
CID 162079929
3-[[2-(2-ethylpyrazol-3-yl)cyclohexen-1-yl]methoxy]-5-methylpyridine-4-carbaldehyde
CID 90434062
ethane;1-[4-[(2-ethenyl-3-hydroxyphenoxy)methyl]-5-phenyl-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 145045533
3-[[2-(2-cyclopentylpyrazol-3-yl)cyclohexen-1-yl]methoxy]-5-hydroxypyridine-4-carbaldehyde
CID 90434224

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)cyclohexen-1-yl]methoxy]phenol?
The IUPAC name of 2-ethenyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)cyclohexen-1-yl]methoxy]phenol (CID 90444133) is 2-ethenyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)cyclohexen-1-yl]methoxy]phenol.
What is the SMILES notation for 2-ethenyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)cyclohexen-1-yl]methoxy]phenol?
The canonical SMILES for 2-ethenyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)cyclohexen-1-yl]methoxy]phenol is C=Cc1c(O)cccc1OCC1=C(c2ccnn2C(C)C)CCCC1.
What is the InChIKey of 2-ethenyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)cyclohexen-1-yl]methoxy]phenol?
The InChIKey is HFPTZMDDEHARDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-4-17-20(24)10-7-11-21(17)25-14-16-8-5-6-9-18(16)19-12-13-22-23(19)15(2)3/h4,7,10-13,15,24H,1,5-6,8-9,14H2,2-3H3.
What are the key properties of 2-ethenyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)cyclohexen-1-yl]methoxy]phenol?
2-ethenyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)cyclohexen-1-yl]methoxy]phenol has a molecular weight of 338.45 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)cyclohexen-1-yl]methoxy]phenol is sourced from PubChem (CID 90444133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).