3-[(E)-2-[6-[(E)-2-(3-hydroxyphenyl)ethenyl]pyrimidin-4-yl]ethenyl]phenol

C20H16N2O2 — CID 46850088

IUPAC3-[(E)-2-[6-[(E)-2-(3-hydroxyphenyl)ethenyl]pyrimidin-4-yl]ethenyl]phenol
SMILESOc1cccc(/C=C/c2cc(/C=C/c3cccc(O)c3)ncn2)c1
InChIInChI=1S/C20H16N2O2/c23-19-5-1-3-15(11-19)7-9-17-13-18(22-14-21-17)10-8-16-4-2-6-20(24)12-16/h1-14,23-24H/b9-7+,10-8+
InChIKeyONQQWXXASNMCMB-FIFLTTCUSA-N
MW316.36 g/mol
LogP4.23
Rot. Bonds4

About 3-[(E)-2-[6-[(E)-2-(3-hydroxyphenyl)ethenyl]pyrimidin-4-yl]ethenyl]phenol

3-[(E)-2-[6-[(E)-2-(3-hydroxyphenyl)ethenyl]pyrimidin-4-yl]ethenyl]phenol (PubChem CID 46850088) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-[(E)-2-[6-[(E)-2-(3-hydroxyphenyl)ethenyl]pyrimidin-4-yl]ethenyl]phenol.

Molecular Properties

Compound Name3-[(E)-2-[6-[(E)-2-(3-hydroxyphenyl)ethenyl]pyrimidin-4-yl]ethenyl]phenol
PubChem CID46850088
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name3-[(E)-2-[6-[(E)-2-(3-hydroxyphenyl)ethenyl]pyrimidin-4-yl]ethenyl]phenol
SMILESOc1cccc(/C=C/c2cc(/C=C/c3cccc(O)c3)ncn2)c1
InChIInChI=1S/C20H16N2O2/c23-19-5-1-3-15(11-19)7-9-17-13-18(22-14-21-17)10-8-16-4-2-6-20(24)12-16/h1-14,23-24H/b9-7+,10-8+
InChIKeyONQQWXXASNMCMB-FIFLTTCUSA-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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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-[6-[(E)-2-(3-hydroxyphenyl)ethenyl]pyrimidin-4-yl]ethenyl]phenol?
The IUPAC name of 3-[(E)-2-[6-[(E)-2-(3-hydroxyphenyl)ethenyl]pyrimidin-4-yl]ethenyl]phenol (CID 46850088) is 3-[(E)-2-[6-[(E)-2-(3-hydroxyphenyl)ethenyl]pyrimidin-4-yl]ethenyl]phenol.
What is the SMILES notation for 3-[(E)-2-[6-[(E)-2-(3-hydroxyphenyl)ethenyl]pyrimidin-4-yl]ethenyl]phenol?
The canonical SMILES for 3-[(E)-2-[6-[(E)-2-(3-hydroxyphenyl)ethenyl]pyrimidin-4-yl]ethenyl]phenol is Oc1cccc(/C=C/c2cc(/C=C/c3cccc(O)c3)ncn2)c1.
What is the InChIKey of 3-[(E)-2-[6-[(E)-2-(3-hydroxyphenyl)ethenyl]pyrimidin-4-yl]ethenyl]phenol?
The InChIKey is ONQQWXXASNMCMB-FIFLTTCUSA-N. The full InChI is InChI=1S/C20H16N2O2/c23-19-5-1-3-15(11-19)7-9-17-13-18(22-14-21-17)10-8-16-4-2-6-20(24)12-16/h1-14,23-24H/b9-7+,10-8+.
What are the key properties of 3-[(E)-2-[6-[(E)-2-(3-hydroxyphenyl)ethenyl]pyrimidin-4-yl]ethenyl]phenol?
3-[(E)-2-[6-[(E)-2-(3-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 3-[(E)-2-[6-[(E)-2-(3-hydroxyphenyl)ethenyl]pyrimidin-4-yl]ethenyl]phenol is sourced from PubChem (CID 46850088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).