(2-cyanophenyl)methyl 3-(2-methoxyphenyl)-2-phenylprop-2-enoate

C24H19NO3 — CID 3897545

IUPAC(2-cyanophenyl)methyl 3-(2-methoxyphenyl)-2-phenylprop-2-enoate
SMILESCOc1ccccc1C=C(C(=O)OCc1ccccc1C#N)c1ccccc1
InChIInChI=1S/C24H19NO3/c1-27-23-14-8-7-11-19(23)15-22(18-9-3-2-4-10-18)24(26)28-17-21-13-6-5-12-20(21)16-25/h2-15H,17H2,1H3
InChIKeyNWIYDVNMNIYLKJ-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.85
Rot. Bonds6

About (2-cyanophenyl)methyl 3-(2-methoxyphenyl)-2-phenylprop-2-enoate

(2-cyanophenyl)methyl 3-(2-methoxyphenyl)-2-phenylprop-2-enoate (PubChem CID 3897545) has the molecular formula C24H19NO3 and a molecular weight of 369.42 g/mol. Its IUPAC name is (2-cyanophenyl)methyl 3-(2-methoxyphenyl)-2-phenylprop-2-enoate.

Molecular Properties

Compound Name(2-cyanophenyl)methyl 3-(2-methoxyphenyl)-2-phenylprop-2-enoate
PubChem CID3897545
Molecular FormulaC24H19NO3
Molecular Weight369.42 g/mol
Exact Mass369.14
IUPAC Name(2-cyanophenyl)methyl 3-(2-methoxyphenyl)-2-phenylprop-2-enoate
SMILESCOc1ccccc1C=C(C(=O)OCc1ccccc1C#N)c1ccccc1
InChIInChI=1S/C24H19NO3/c1-27-23-14-8-7-11-19(23)15-22(18-9-3-2-4-10-18)24(26)28-17-21-13-6-5-12-20(21)16-25/h2-15H,17H2,1H3
InChIKeyNWIYDVNMNIYLKJ-UHFFFAOYSA-N
XLogP4.85
TPSA59.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-cyanopropyl (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate
CID 24530646
(2-amino-2-oxoethyl) 3-(2-methoxyphenyl)-2-phenylprop-2-enoate
CID 5025744
(2,6-dichlorophenyl)methyl (Z)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate
CID 2437997
(2-cyanophenyl)methyl 2,6-dimethoxybenzoate
CID 4784820
(2-cyanophenyl)methyl 2-methoxybenzoate
CID 2640366
[2-(2-cyanoethylamino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate
CID 9271579
(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate
CID 46675232
methyl (E)-3-(2-cyanophenyl)-2-phenylprop-2-enoate
CID 102379772
(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 3-(2-methoxyphenyl)-2-phenylprop-2-enoate
CID 3926946
(2-methyl-1,3-thiazol-4-yl)methyl (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate
CID 9271617
(4,5-dimethyl-1,3-oxazol-2-yl)methyl (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate
CID 47821606
[2-(diethylamino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate
CID 2602276

Frequently Asked Questions

What is the IUPAC name of (2-cyanophenyl)methyl 3-(2-methoxyphenyl)-2-phenylprop-2-enoate?
The IUPAC name of (2-cyanophenyl)methyl 3-(2-methoxyphenyl)-2-phenylprop-2-enoate (CID 3897545) is (2-cyanophenyl)methyl 3-(2-methoxyphenyl)-2-phenylprop-2-enoate.
What is the SMILES notation for (2-cyanophenyl)methyl 3-(2-methoxyphenyl)-2-phenylprop-2-enoate?
The canonical SMILES for (2-cyanophenyl)methyl 3-(2-methoxyphenyl)-2-phenylprop-2-enoate is COc1ccccc1C=C(C(=O)OCc1ccccc1C#N)c1ccccc1.
What is the InChIKey of (2-cyanophenyl)methyl 3-(2-methoxyphenyl)-2-phenylprop-2-enoate?
The InChIKey is NWIYDVNMNIYLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO3/c1-27-23-14-8-7-11-19(23)15-22(18-9-3-2-4-10-18)24(26)28-17-21-13-6-5-12-20(21)16-25/h2-15H,17H2,1H3.
What are the key properties of (2-cyanophenyl)methyl 3-(2-methoxyphenyl)-2-phenylprop-2-enoate?
(2-cyanophenyl)methyl 3-(2-methoxyphenyl)-2-phenylprop-2-enoate has a molecular weight of 369.42 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyanophenyl)methyl 3-(2-methoxyphenyl)-2-phenylprop-2-enoate is sourced from PubChem (CID 3897545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).