4-[2-[6-[2-(4-hydroxycyclohexa-1,5-dien-1-yl)ethenyl]pyrimidin-4-yl]ethenyl]phenol

C20H18N2O2 — CID 136600350

IUPAC4-[2-[6-[2-(4-hydroxycyclohexa-1,5-dien-1-yl)ethenyl]pyrimidin-4-yl]ethenyl]phenol
SMILESOc1ccc(C=Cc2cc(C=CC3=CCC(O)C=C3)ncn2)cc1
InChIInChI=1S/C20H18N2O2/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/h1-11,13-14,20,23-24H,12H2
InChIKeyIMPSVDGYQOZZES-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.61
Rot. Bonds4

About 4-[2-[6-[2-(4-hydroxycyclohexa-1,5-dien-1-yl)ethenyl]pyrimidin-4-yl]ethenyl]phenol

4-[2-[6-[2-(4-hydroxycyclohexa-1,5-dien-1-yl)ethenyl]pyrimidin-4-yl]ethenyl]phenol (PubChem CID 136600350) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 4-[2-[6-[2-(4-hydroxycyclohexa-1,5-dien-1-yl)ethenyl]pyrimidin-4-yl]ethenyl]phenol.

Molecular Properties

Compound Name4-[2-[6-[2-(4-hydroxycyclohexa-1,5-dien-1-yl)ethenyl]pyrimidin-4-yl]ethenyl]phenol
PubChem CID136600350
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name4-[2-[6-[2-(4-hydroxycyclohexa-1,5-dien-1-yl)ethenyl]pyrimidin-4-yl]ethenyl]phenol
SMILESOc1ccc(C=Cc2cc(C=CC3=CCC(O)C=C3)ncn2)cc1
InChIInChI=1S/C20H18N2O2/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/h1-11,13-14,20,23-24H,12H2
InChIKeyIMPSVDGYQOZZES-UHFFFAOYSA-N
XLogP3.61
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[6-[2-(4-hydroxyphenyl)ethenyl]pyrimidin-4-yl]ethenyl]phenol
CID 136509962
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-[2-(1-methyl-2H-pyridin-4-yl)ethenyl]phenol iodide
CID 57357705
4-[(E)-2-phenylethenyl]cyclohexa-2,4-dien-1-amine
CID 143367130
4-[(Z)-2-(4-aminophenyl)ethenyl]phenol
CID 25021233
N,N-bis(4-methoxyphenyl)-4-[(E)-2-(4-methylcyclohexa-1,5-dien-1-yl)ethenyl]aniline
CID 89020124
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-[4-(4-hydroxycyclohexa-1,5-dien-1-yl)-2-methylphenyl]phenol
CID 121464032

Frequently Asked Questions

What is the IUPAC name of 4-[2-[6-[2-(4-hydroxycyclohexa-1,5-dien-1-yl)ethenyl]pyrimidin-4-yl]ethenyl]phenol?
The IUPAC name of 4-[2-[6-[2-(4-hydroxycyclohexa-1,5-dien-1-yl)ethenyl]pyrimidin-4-yl]ethenyl]phenol (CID 136600350) is 4-[2-[6-[2-(4-hydroxycyclohexa-1,5-dien-1-yl)ethenyl]pyrimidin-4-yl]ethenyl]phenol.
What is the SMILES notation for 4-[2-[6-[2-(4-hydroxycyclohexa-1,5-dien-1-yl)ethenyl]pyrimidin-4-yl]ethenyl]phenol?
The canonical SMILES for 4-[2-[6-[2-(4-hydroxycyclohexa-1,5-dien-1-yl)ethenyl]pyrimidin-4-yl]ethenyl]phenol is Oc1ccc(C=Cc2cc(C=CC3=CCC(O)C=C3)ncn2)cc1.
What is the InChIKey of 4-[2-[6-[2-(4-hydroxycyclohexa-1,5-dien-1-yl)ethenyl]pyrimidin-4-yl]ethenyl]phenol?
The InChIKey is IMPSVDGYQOZZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/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/h1-11,13-14,20,23-24H,12H2.
What are the key properties of 4-[2-[6-[2-(4-hydroxycyclohexa-1,5-dien-1-yl)ethenyl]pyrimidin-4-yl]ethenyl]phenol?
4-[2-[6-[2-(4-hydroxycyclohexa-1,5-dien-1-yl)ethenyl]pyrimidin-4-yl]ethenyl]phenol has a molecular weight of 318.38 g/mol, XLogP of 3.61, 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-hydroxycyclohexa-1,5-dien-1-yl)ethenyl]pyrimidin-4-yl]ethenyl]phenol is sourced from PubChem (CID 136600350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).