4-[[4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]iminomethyl]phenol

C24H23NO4 — CID 136693653

IUPAC4-[[4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]iminomethyl]phenol
SMILESCOc1cc(/C=C/c2ccc(/N=C/c3ccc(O)cc3)cc2)cc(OC)c1OC
InChIInChI=1S/C24H23NO4/c1-27-22-14-19(15-23(28-2)24(22)29-3)5-4-17-6-10-20(11-7-17)25-16-18-8-12-21(26)13-9-18/h4-16,26H,1-3H3/b5-4+,25-16+
InChIKeyGHCZJOLBBPAYNT-KVODZVDCSA-N
MW389.45 g/mol
LogP5.34
Rot. Bonds7

About 4-[[4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]iminomethyl]phenol

4-[[4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]iminomethyl]phenol (PubChem CID 136693653) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is 4-[[4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name4-[[4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]iminomethyl]phenol
PubChem CID136693653
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Name4-[[4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]iminomethyl]phenol
SMILESCOc1cc(/C=C/c2ccc(/N=C/c3ccc(O)cc3)cc2)cc(OC)c1OC
InChIInChI=1S/C24H23NO4/c1-27-22-14-19(15-23(28-2)24(22)29-3)5-4-17-6-10-20(11-7-17)25-16-18-8-12-21(26)13-9-18/h4-16,26H,1-3H3/b5-4+,25-16+
InChIKeyGHCZJOLBBPAYNT-KVODZVDCSA-N
XLogP5.34
TPSA60.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.45
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]iminomethyl]phenol
CID 174598754
4-[2-(3,5-dimethoxy-4-methylphenyl)ethenyl]phenol
CID 152550506
[2-bromo-4-[(4-hydroxyphenyl)iminomethyl]-6-methoxyphenyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 164824274
methyl 3-[4-[(4-hydroxyphenyl)methylideneamino]phenyl]prop-2-enoate
CID 170307380
N-[4-[(3,4,5-trimethoxyphenyl)methylideneamino]phenyl]acetamide
CID 694284
[2-bromo-4-[(4-hydroxyphenyl)iminomethyl]-6-methoxyphenyl] 3-phenylprop-2-enoate
CID 164824176
1,2,3-trimethoxy-5-[4-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]phenyl]benzene
CID 155816049
5-[(E)-2-(4-ethenylphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 59348795
4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2-methoxyphenol
CID 10377070
N-(4-phenoxyphenyl)-1-(3,4,5-trimethoxyphenyl)methanimine
CID 4505600
2,3-dimethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 69302242
1-(4-ethylphenyl)-N-(3,4,5-trimethoxyphenyl)methanimine
CID 7326664

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]iminomethyl]phenol?
The IUPAC name of 4-[[4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]iminomethyl]phenol (CID 136693653) is 4-[[4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]iminomethyl]phenol.
What is the SMILES notation for 4-[[4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]iminomethyl]phenol?
The canonical SMILES for 4-[[4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]iminomethyl]phenol is COc1cc(/C=C/c2ccc(/N=C/c3ccc(O)cc3)cc2)cc(OC)c1OC.
What is the InChIKey of 4-[[4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]iminomethyl]phenol?
The InChIKey is GHCZJOLBBPAYNT-KVODZVDCSA-N. The full InChI is InChI=1S/C24H23NO4/c1-27-22-14-19(15-23(28-2)24(22)29-3)5-4-17-6-10-20(11-7-17)25-16-18-8-12-21(26)13-9-18/h4-16,26H,1-3H3/b5-4+,25-16+.
What are the key properties of 4-[[4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]iminomethyl]phenol?
4-[[4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]iminomethyl]phenol has a molecular weight of 389.45 g/mol, XLogP of 5.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]iminomethyl]phenol is sourced from PubChem (CID 136693653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).