4-[1-(4-hydroxyphenyl)-2-methyl-4-pyridin-3-ylbut-1-enyl]phenol

C22H21NO2 — CID 166634744

IUPAC4-[1-(4-hydroxyphenyl)-2-methyl-4-pyridin-3-ylbut-1-enyl]phenol
SMILESCC(CCc1cccnc1)=C(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C22H21NO2/c1-16(4-5-17-3-2-14-23-15-17)22(18-6-10-20(24)11-7-18)19-8-12-21(25)13-9-19/h2-3,6-15,24-25H,4-5H2,1H3
InChIKeyIXTAQJYOHXDVAY-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.95
Rot. Bonds5

About 4-[1-(4-hydroxyphenyl)-2-methyl-4-pyridin-3-ylbut-1-enyl]phenol

4-[1-(4-hydroxyphenyl)-2-methyl-4-pyridin-3-ylbut-1-enyl]phenol (PubChem CID 166634744) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-[1-(4-hydroxyphenyl)-2-methyl-4-pyridin-3-ylbut-1-enyl]phenol.

Molecular Properties

Compound Name4-[1-(4-hydroxyphenyl)-2-methyl-4-pyridin-3-ylbut-1-enyl]phenol
PubChem CID166634744
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC Name4-[1-(4-hydroxyphenyl)-2-methyl-4-pyridin-3-ylbut-1-enyl]phenol
SMILESCC(CCc1cccnc1)=C(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C22H21NO2/c1-16(4-5-17-3-2-14-23-15-17)22(18-6-10-20(24)11-7-18)19-8-12-21(25)13-9-19/h2-3,6-15,24-25H,4-5H2,1H3
InChIKeyIXTAQJYOHXDVAY-UHFFFAOYSA-N
XLogP4.95
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(pyridin-3-ylmethyl)phenol;hydrochloride
CID 13290136
1-amino-4-pyridin-3-ylbutan-2-one
CID 82414894
3-pyridin-3-ylpropanoic acid;hydrochloride
CID 66648902
(111C)methyl 3-pyridin-3-ylpropanoate
CID 11816043
2-oxo-4-pyridin-3-ylbutanoic acid
CID 12014964
argon;2-pyridin-3-ylethanol
CID 159015973
4-[1-(2-pyridin-3-ylethylamino)propyl]phenol
CID 60893733
N-(2-methylprop-1-enyl)-3-pyridin-3-ylpropanamide
CID 177435209
N-ethoxy-3-pyridin-3-ylpropanamide
CID 60717875
5,5-dimethyl-1-pyridin-3-ylhexan-3-one
CID 58286829
1-[4-(2-pyridin-3-ylethylamino)phenyl]ethanone
CID 113222580
1-(5-methyl-3-pyridinyl)-3-pyridin-3-ylpropan-1-one
CID 105122781

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxyphenyl)-2-methyl-4-pyridin-3-ylbut-1-enyl]phenol?
The IUPAC name of 4-[1-(4-hydroxyphenyl)-2-methyl-4-pyridin-3-ylbut-1-enyl]phenol (CID 166634744) is 4-[1-(4-hydroxyphenyl)-2-methyl-4-pyridin-3-ylbut-1-enyl]phenol.
What is the SMILES notation for 4-[1-(4-hydroxyphenyl)-2-methyl-4-pyridin-3-ylbut-1-enyl]phenol?
The canonical SMILES for 4-[1-(4-hydroxyphenyl)-2-methyl-4-pyridin-3-ylbut-1-enyl]phenol is CC(CCc1cccnc1)=C(c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-[1-(4-hydroxyphenyl)-2-methyl-4-pyridin-3-ylbut-1-enyl]phenol?
The InChIKey is IXTAQJYOHXDVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c1-16(4-5-17-3-2-14-23-15-17)22(18-6-10-20(24)11-7-18)19-8-12-21(25)13-9-19/h2-3,6-15,24-25H,4-5H2,1H3.
What are the key properties of 4-[1-(4-hydroxyphenyl)-2-methyl-4-pyridin-3-ylbut-1-enyl]phenol?
4-[1-(4-hydroxyphenyl)-2-methyl-4-pyridin-3-ylbut-1-enyl]phenol has a molecular weight of 331.42 g/mol, XLogP of 4.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxyphenyl)-2-methyl-4-pyridin-3-ylbut-1-enyl]phenol is sourced from PubChem (CID 166634744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).