[4-methoxy-2-(4-methoxyphenyl)-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl] prop-2-enoate

C26H24O5 — CID 144772005

IUPAC[4-methoxy-2-(4-methoxyphenyl)-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1cc(/C=C/c2ccc(OC)cc2)c(OC)cc1-c1ccc(OC)cc1
InChIInChI=1S/C26H24O5/c1-5-26(27)31-25-16-20(9-6-18-7-12-21(28-2)13-8-18)24(30-4)17-23(25)19-10-14-22(29-3)15-11-19/h5-17H,1H2,2-4H3/b9-6+
InChIKeyGFCPIDMBENKZOQ-RMKNXTFCSA-N
MW416.47 g/mol
LogP5.64
Rot. Bonds8

About [4-methoxy-2-(4-methoxyphenyl)-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl] prop-2-enoate

[4-methoxy-2-(4-methoxyphenyl)-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl] prop-2-enoate (PubChem CID 144772005) has the molecular formula C26H24O5 and a molecular weight of 416.47 g/mol. Its IUPAC name is [4-methoxy-2-(4-methoxyphenyl)-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl] prop-2-enoate.

Molecular Properties

Compound Name[4-methoxy-2-(4-methoxyphenyl)-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl] prop-2-enoate
PubChem CID144772005
Molecular FormulaC26H24O5
Molecular Weight416.47 g/mol
Exact Mass416.16
IUPAC Name[4-methoxy-2-(4-methoxyphenyl)-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1cc(/C=C/c2ccc(OC)cc2)c(OC)cc1-c1ccc(OC)cc1
InChIInChI=1S/C26H24O5/c1-5-26(27)31-25-16-20(9-6-18-7-12-21(28-2)13-8-18)24(30-4)17-23(25)19-10-14-22(29-3)15-11-19/h5-17H,1H2,2-4H3/b9-6+
InChIKeyGFCPIDMBENKZOQ-RMKNXTFCSA-N
XLogP5.64
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.47
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

[5-(4-hydroxyphenyl)-2-(4-methoxyphenyl)-4-methylphenyl] prop-2-enoate;methanol;prop-2-enal
CID 144772103
[4-[(E)-2-[5-(2,2-difluoroethenoxy)-4-(4-methoxyphenyl)-2-(2-methylprop-2-enoyloxy)phenyl]ethenyl]phenyl] 2-methylprop-2-enoate
CID 144737094
[4-[5-methoxy-4-(4-methoxyphenyl)-2-(2-methylprop-1-enoxy)phenyl]phenyl] prop-2-enoate;propanal;prop-2-enal
CID 144736972
[4-[(E)-2-[2,5-bis(2-methylprop-2-enoxy)-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]ethenyl]phenyl] 2-methylprop-2-enoate
CID 118907437
[3-methoxy-4-[6-[2-(4-methoxy-3-prop-2-enoyloxyphenoxy)ethoxy]naphthalen-2-yl]phenyl] prop-2-enoate
CID 144761458
[4-[2-methoxy-4-(4-methoxyphenyl)-5-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate
CID 144772021
[4-[(E)-2-[2,5-bis(2,2-difluoroethenoxy)-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]ethenyl]phenyl] 2-methylprop-2-enoate
CID 118907439
ethane;[4-[3-methoxy-4-(4-prop-2-enoyloxyphenyl)phenyl]phenyl] prop-2-enoate;prop-2-enal
CID 144772034
[4-[(E)-2-[5-methyl-2-(2-methylprop-2-enoyloxy)-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]ethenyl]phenyl] 2-methylprop-2-enoate
CID 118975635
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
[4-[4-(3-fluoro-4-methoxyphenyl)phenyl]phenyl] prop-2-enoate
CID 135163056
[4-(3-fluoro-4-methoxyphenyl)phenyl] prop-2-enoate
CID 126551737

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-2-(4-methoxyphenyl)-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl] prop-2-enoate?
The IUPAC name of [4-methoxy-2-(4-methoxyphenyl)-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl] prop-2-enoate (CID 144772005) is [4-methoxy-2-(4-methoxyphenyl)-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl] prop-2-enoate.
What is the SMILES notation for [4-methoxy-2-(4-methoxyphenyl)-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl] prop-2-enoate?
The canonical SMILES for [4-methoxy-2-(4-methoxyphenyl)-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl] prop-2-enoate is C=CC(=O)Oc1cc(/C=C/c2ccc(OC)cc2)c(OC)cc1-c1ccc(OC)cc1.
What is the InChIKey of [4-methoxy-2-(4-methoxyphenyl)-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl] prop-2-enoate?
The InChIKey is GFCPIDMBENKZOQ-RMKNXTFCSA-N. The full InChI is InChI=1S/C26H24O5/c1-5-26(27)31-25-16-20(9-6-18-7-12-21(28-2)13-8-18)24(30-4)17-23(25)19-10-14-22(29-3)15-11-19/h5-17H,1H2,2-4H3/b9-6+.
What are the key properties of [4-methoxy-2-(4-methoxyphenyl)-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl] prop-2-enoate?
[4-methoxy-2-(4-methoxyphenyl)-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl] prop-2-enoate has a molecular weight of 416.47 g/mol, XLogP of 5.64, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-2-(4-methoxyphenyl)-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl] prop-2-enoate is sourced from PubChem (CID 144772005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).