6-[(E)-2-(4-hydroxyphenyl)ethenyl]-4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-1H-pyrimidin-2-one

C20H16N2O3 — CID 136809878

IUPAC6-[(E)-2-(4-hydroxyphenyl)ethenyl]-4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-1H-pyrimidin-2-one
SMILESO=c1nc(/C=C\c2ccc(O)cc2)cc(/C=C/c2ccc(O)cc2)[nH]1
InChIInChI=1S/C20H16N2O3/c23-18-9-3-14(4-10-18)1-7-16-13-17(22-20(25)21-16)8-2-15-5-11-19(24)12-6-15/h1-13,23-24H,(H,21,22,25)/b7-1-,8-2+
InChIKeyDTOVOFYUPWWRLX-JOTJMYPPSA-N
MW332.36 g/mol
LogP3.52
Rot. Bonds4

About 6-[(E)-2-(4-hydroxyphenyl)ethenyl]-4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-1H-pyrimidin-2-one

6-[(E)-2-(4-hydroxyphenyl)ethenyl]-4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-1H-pyrimidin-2-one (PubChem CID 136809878) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 6-[(E)-2-(4-hydroxyphenyl)ethenyl]-4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[(E)-2-(4-hydroxyphenyl)ethenyl]-4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-1H-pyrimidin-2-one
PubChem CID136809878
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Name6-[(E)-2-(4-hydroxyphenyl)ethenyl]-4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-1H-pyrimidin-2-one
SMILESO=c1nc(/C=C\c2ccc(O)cc2)cc(/C=C/c2ccc(O)cc2)[nH]1
InChIInChI=1S/C20H16N2O3/c23-18-9-3-14(4-10-18)1-7-16-13-17(22-20(25)21-16)8-2-15-5-11-19(24)12-6-15/h1-13,23-24H,(H,21,22,25)/b7-1-,8-2+
InChIKeyDTOVOFYUPWWRLX-JOTJMYPPSA-N
XLogP3.52
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-bis(2-phenylethenyl)-1H-pyrimidin-2-one
CID 2959542
6-[(Z)-2-(4-propan-2-ylphenyl)ethenyl]-4-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-1H-pyrimidin-2-one
CID 92971867
4-[2-[6-[2-(4-hydroxyphenyl)ethenyl]pyrimidin-4-yl]ethenyl]phenol
CID 136509962
[4-[(E)-2-[4-[(E)-2-[4-[hydroxy-[(2-nitrophenyl)methoxy]phosphoryl]phenyl]ethenyl]-2-oxo-1H-pyrimidin-6-yl]ethenyl]phenyl]-[(2-nitrophenyl)methoxy]phosphinic acid
CID 102290868
6-[(E)-2-(4-hydroxyphenyl)ethenyl]pyridin-3-ol
CID 135503118
4-phenyl-6-[(E)-2-phenylethenyl]-1H-pyrimidin-2-one
CID 22929240
4-(2-pyridin-2-ylethenyl)phenol
CID 4736878
5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;methane
CID 74438837
4-[(E)-2-(4-methyl-2-pyridinyl)ethenyl]phenol
CID 143748192
5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;phosphoric acid
CID 25189491
4-[(E)-2-(3-phenyl-1H-pyrazol-5-yl)ethenyl]phenol
CID 135991591
1-[3-acetyl-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]ethanone;1-[4-[(E)-2-(3,5-diacetylphenyl)ethenyl]phenyl]ethanone
CID 68724817

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-(4-hydroxyphenyl)ethenyl]-4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-1H-pyrimidin-2-one?
The IUPAC name of 6-[(E)-2-(4-hydroxyphenyl)ethenyl]-4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-1H-pyrimidin-2-one (CID 136809878) is 6-[(E)-2-(4-hydroxyphenyl)ethenyl]-4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[(E)-2-(4-hydroxyphenyl)ethenyl]-4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-[(E)-2-(4-hydroxyphenyl)ethenyl]-4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-1H-pyrimidin-2-one is O=c1nc(/C=C\c2ccc(O)cc2)cc(/C=C/c2ccc(O)cc2)[nH]1.
What is the InChIKey of 6-[(E)-2-(4-hydroxyphenyl)ethenyl]-4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-1H-pyrimidin-2-one?
The InChIKey is DTOVOFYUPWWRLX-JOTJMYPPSA-N. The full InChI is InChI=1S/C20H16N2O3/c23-18-9-3-14(4-10-18)1-7-16-13-17(22-20(25)21-16)8-2-15-5-11-19(24)12-6-15/h1-13,23-24H,(H,21,22,25)/b7-1-,8-2+.
What are the key properties of 6-[(E)-2-(4-hydroxyphenyl)ethenyl]-4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-1H-pyrimidin-2-one?
6-[(E)-2-(4-hydroxyphenyl)ethenyl]-4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-1H-pyrimidin-2-one has a molecular weight of 332.36 g/mol, XLogP of 3.52, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-(4-hydroxyphenyl)ethenyl]-4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-1H-pyrimidin-2-one is sourced from PubChem (CID 136809878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).