4-[2-[6-[2-(4-hydroxyphenyl)ethenyl]pyrimidin-4-yl]ethenyl]phenol

C20H16N2O2 — CID 136509962

IUPAC4-[2-[6-[2-(4-hydroxyphenyl)ethenyl]pyrimidin-4-yl]ethenyl]phenol
SMILESOc1ccc(C=Cc2cc(C=Cc3ccc(O)cc3)ncn2)cc1
InChIInChI=1S/C20H16N2O2/c23-19-9-3-15(4-10-19)1-7-17-13-18(22-14-21-17)8-2-16-5-11-20(24)12-6-16/h1-14,23-24H
InChIKeyNLGFFHNNPGGPNH-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.23
Rot. Bonds4

About 4-[2-[6-[2-(4-hydroxyphenyl)ethenyl]pyrimidin-4-yl]ethenyl]phenol

4-[2-[6-[2-(4-hydroxyphenyl)ethenyl]pyrimidin-4-yl]ethenyl]phenol (PubChem CID 136509962) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-[2-[6-[2-(4-hydroxyphenyl)ethenyl]pyrimidin-4-yl]ethenyl]phenol.

Molecular Properties

Compound Name4-[2-[6-[2-(4-hydroxyphenyl)ethenyl]pyrimidin-4-yl]ethenyl]phenol
PubChem CID136509962
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name4-[2-[6-[2-(4-hydroxyphenyl)ethenyl]pyrimidin-4-yl]ethenyl]phenol
SMILESOc1ccc(C=Cc2cc(C=Cc3ccc(O)cc3)ncn2)cc1
InChIInChI=1S/C20H16N2O2/c23-19-9-3-15(4-10-19)1-7-17-13-18(22-14-21-17)8-2-16-5-11-20(24)12-6-16/h1-14,23-24H
InChIKeyNLGFFHNNPGGPNH-UHFFFAOYSA-N
XLogP4.23
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[6-[2-(4-hydroxycyclohexa-1,5-dien-1-yl)ethenyl]pyrimidin-4-yl]ethenyl]phenol
CID 136600350
6-[(E)-2-(4-hydroxyphenyl)ethenyl]pyridin-3-ol
CID 135503118
4-[(E)-2-(4-methyl-2-pyridinyl)ethenyl]phenol
CID 143748192
4-[(E)-2-[6-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyrimidin-4-yl]ethenyl]-N,N-dimethylaniline
CID 42643531
4-(2-pyridin-2-ylethenyl)phenol
CID 4736878
4-[(Z)-2-(4-aminophenyl)ethenyl]phenol
CID 25021233
6-[(E)-2-(4-hydroxyphenyl)ethenyl]-4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-1H-pyrimidin-2-one
CID 136809878
5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;methane
CID 74438837
4-(2-phenylethenyl)phenol
CID 157400568
4-[(E)-2-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]ethenyl]phenol;triiodovanadium
CID 157160802
4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenol
CID 52942315
4-[2-(4-hydroxyphenyl)ethenyl]benzene-1,2-diol
CID 54294164

Frequently Asked Questions

What is the IUPAC name of 4-[2-[6-[2-(4-hydroxyphenyl)ethenyl]pyrimidin-4-yl]ethenyl]phenol?
The IUPAC name of 4-[2-[6-[2-(4-hydroxyphenyl)ethenyl]pyrimidin-4-yl]ethenyl]phenol (CID 136509962) is 4-[2-[6-[2-(4-hydroxyphenyl)ethenyl]pyrimidin-4-yl]ethenyl]phenol.
What is the SMILES notation for 4-[2-[6-[2-(4-hydroxyphenyl)ethenyl]pyrimidin-4-yl]ethenyl]phenol?
The canonical SMILES for 4-[2-[6-[2-(4-hydroxyphenyl)ethenyl]pyrimidin-4-yl]ethenyl]phenol is Oc1ccc(C=Cc2cc(C=Cc3ccc(O)cc3)ncn2)cc1.
What is the InChIKey of 4-[2-[6-[2-(4-hydroxyphenyl)ethenyl]pyrimidin-4-yl]ethenyl]phenol?
The InChIKey is NLGFFHNNPGGPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c23-19-9-3-15(4-10-19)1-7-17-13-18(22-14-21-17)8-2-16-5-11-20(24)12-6-16/h1-14,23-24H.
What are the key properties of 4-[2-[6-[2-(4-hydroxyphenyl)ethenyl]pyrimidin-4-yl]ethenyl]phenol?
4-[2-[6-[2-(4-hydroxyphenyl)ethenyl]pyrimidin-4-yl]ethenyl]phenol has a molecular weight of 316.36 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[6-[2-(4-hydroxyphenyl)ethenyl]pyrimidin-4-yl]ethenyl]phenol is sourced from PubChem (CID 136509962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).