[4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl] prop-2-enoate

C19H16O4 — CID 102475466

IUPAC[4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(C(=O)/C=C/c2ccccc2OC)cc1
InChIInChI=1S/C19H16O4/c1-3-19(21)23-16-11-8-14(9-12-16)17(20)13-10-15-6-4-5-7-18(15)22-2/h3-13H,1H2,2H3/b13-10+
InChIKeyRNERMZUFNJTWRC-JLHYYAGUSA-N
MW308.33 g/mol
LogP3.68
Rot. Bonds6

About [4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl] prop-2-enoate

[4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl] prop-2-enoate (PubChem CID 102475466) has the molecular formula C19H16O4 and a molecular weight of 308.33 g/mol. Its IUPAC name is [4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl] prop-2-enoate.

Molecular Properties

Compound Name[4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl] prop-2-enoate
PubChem CID102475466
Molecular FormulaC19H16O4
Molecular Weight308.33 g/mol
Exact Mass308.10
IUPAC Name[4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(C(=O)/C=C/c2ccccc2OC)cc1
InChIInChI=1S/C19H16O4/c1-3-19(21)23-16-11-8-14(9-12-16)17(20)13-10-15-6-4-5-7-18(15)22-2/h3-13H,1H2,2H3/b13-10+
InChIKeyRNERMZUFNJTWRC-JLHYYAGUSA-N
XLogP3.68
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 3292811
(Z)-3-(2-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 25021886
[4-(4-fluorobenzoyl)phenyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 2397099
(E)-3-(2-methoxyphenyl)-1-pyridin-4-ylprop-2-en-1-one
CID 6262995
N-[4-[3-(2-methoxyphenyl)prop-2-enoyl]phenyl]acetamide
CID 4143798
3-(2-ethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 78787127
[2-(3-oxo-3-phenylprop-1-enyl)phenyl] 2,6-dimethoxybenzoate
CID 3498257
[2-(3-oxo-3-phenylprop-1-enyl)phenyl] 2-methoxybenzoate
CID 5088439
(2-methoxyphenyl) prop-2-enoate
CID 22987486
3-(2-prop-2-enoyloxyphenyl)prop-2-enoic acid
CID 57198834
[4-(3-oxo-3-phenylprop-1-enyl)phenyl] 2,6-dimethoxybenzoate
CID 3501822
[4-[3-[3,4-di(prop-2-enoyloxy)phenyl]prop-2-enoyl]phenyl] prop-2-enoate
CID 123382441

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl] prop-2-enoate?
The IUPAC name of [4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl] prop-2-enoate (CID 102475466) is [4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl] prop-2-enoate.
What is the SMILES notation for [4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl] prop-2-enoate?
The canonical SMILES for [4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl] prop-2-enoate is C=CC(=O)Oc1ccc(C(=O)/C=C/c2ccccc2OC)cc1.
What is the InChIKey of [4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl] prop-2-enoate?
The InChIKey is RNERMZUFNJTWRC-JLHYYAGUSA-N. The full InChI is InChI=1S/C19H16O4/c1-3-19(21)23-16-11-8-14(9-12-16)17(20)13-10-15-6-4-5-7-18(15)22-2/h3-13H,1H2,2H3/b13-10+.
What are the key properties of [4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl] prop-2-enoate?
[4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl] prop-2-enoate has a molecular weight of 308.33 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl] prop-2-enoate is sourced from PubChem (CID 102475466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).