4-[N-(4-ethenylphenyl)-C-(4-hydroxyphenyl)carbonimidoyl]phenol

C21H17NO2 — CID 137026579

IUPAC4-[N-(4-ethenylphenyl)-C-(4-hydroxyphenyl)carbonimidoyl]phenol
SMILESC=Cc1ccc(N=C(c2ccc(O)cc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C21H17NO2/c1-2-15-3-9-18(10-4-15)22-21(16-5-11-19(23)12-6-16)17-7-13-20(24)14-8-17/h2-14,23-24H,1H2
InChIKeyIPUXPPSYUARPHF-UHFFFAOYSA-N
MW315.37 g/mol
LogP4.91
Rot. Bonds4

About 4-[N-(4-ethenylphenyl)-C-(4-hydroxyphenyl)carbonimidoyl]phenol

4-[N-(4-ethenylphenyl)-C-(4-hydroxyphenyl)carbonimidoyl]phenol (PubChem CID 137026579) has the molecular formula C21H17NO2 and a molecular weight of 315.37 g/mol. Its IUPAC name is 4-[N-(4-ethenylphenyl)-C-(4-hydroxyphenyl)carbonimidoyl]phenol.

Molecular Properties

Compound Name4-[N-(4-ethenylphenyl)-C-(4-hydroxyphenyl)carbonimidoyl]phenol
PubChem CID137026579
Molecular FormulaC21H17NO2
Molecular Weight315.37 g/mol
Exact Mass315.13
IUPAC Name4-[N-(4-ethenylphenyl)-C-(4-hydroxyphenyl)carbonimidoyl]phenol
SMILESC=Cc1ccc(N=C(c2ccc(O)cc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C21H17NO2/c1-2-15-3-9-18(10-4-15)22-21(16-5-11-19(23)12-6-16)17-7-13-20(24)14-8-17/h2-14,23-24H,1H2
InChIKeyIPUXPPSYUARPHF-UHFFFAOYSA-N
XLogP4.91
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

ethane;ethene;4-ethenylphenol
CID 178000559
4-ethenylphenol;propan-2-ol
CID 159910746
1,2-bis(ethenyl)benzene;4-ethenylphenol
CID 131712069
phenol;styrene
CID 160675765
4-ethenylphenol;(4-ethenylphenyl)methanol;phosphane;vanadium
CID 158621664
silver 4-ethenylbenzoate
CID 86649830
4-ethenyl-N,N'-dimethylbenzenecarboximidamide
CID 102533496
4-ethenylphenol;2-(4-ethenylphenyl)oxane
CID 131719203
1-(1-chloroethenyl)-4-ethenylbenzene
CID 58298786
benzene;ethene;phenol;styrene
CID 174599559
4-ethenylphenol;1-ethenyl-4-propan-2-yloxybenzene
CID 67420429
1-tert-butyl-4-ethenylbenzene;4-ethenylphenol;styrene
CID 174491340

Frequently Asked Questions

What is the IUPAC name of 4-[N-(4-ethenylphenyl)-C-(4-hydroxyphenyl)carbonimidoyl]phenol?
The IUPAC name of 4-[N-(4-ethenylphenyl)-C-(4-hydroxyphenyl)carbonimidoyl]phenol (CID 137026579) is 4-[N-(4-ethenylphenyl)-C-(4-hydroxyphenyl)carbonimidoyl]phenol.
What is the SMILES notation for 4-[N-(4-ethenylphenyl)-C-(4-hydroxyphenyl)carbonimidoyl]phenol?
The canonical SMILES for 4-[N-(4-ethenylphenyl)-C-(4-hydroxyphenyl)carbonimidoyl]phenol is C=Cc1ccc(N=C(c2ccc(O)cc2)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[N-(4-ethenylphenyl)-C-(4-hydroxyphenyl)carbonimidoyl]phenol?
The InChIKey is IPUXPPSYUARPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO2/c1-2-15-3-9-18(10-4-15)22-21(16-5-11-19(23)12-6-16)17-7-13-20(24)14-8-17/h2-14,23-24H,1H2.
What are the key properties of 4-[N-(4-ethenylphenyl)-C-(4-hydroxyphenyl)carbonimidoyl]phenol?
4-[N-(4-ethenylphenyl)-C-(4-hydroxyphenyl)carbonimidoyl]phenol has a molecular weight of 315.37 g/mol, XLogP of 4.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[N-(4-ethenylphenyl)-C-(4-hydroxyphenyl)carbonimidoyl]phenol is sourced from PubChem (CID 137026579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).