[4-[2-(4-cyanophenyl)ethenyl]phenoxy]methyl prop-2-enoate

C19H15NO3 — CID 59273690

IUPAC[4-[2-(4-cyanophenyl)ethenyl]phenoxy]methyl prop-2-enoate
SMILESC=CC(=O)OCOc1ccc(C=Cc2ccc(C#N)cc2)cc1
InChIInChI=1S/C19H15NO3/c1-2-19(21)23-14-22-18-11-9-16(10-12-18)4-3-15-5-7-17(13-20)8-6-15/h2-12H,1,14H2
InChIKeyCHGOQRNBBVZZEG-UHFFFAOYSA-N
MW305.33 g/mol
LogP3.79
Rot. Bonds6

About [4-[2-(4-cyanophenyl)ethenyl]phenoxy]methyl prop-2-enoate

[4-[2-(4-cyanophenyl)ethenyl]phenoxy]methyl prop-2-enoate (PubChem CID 59273690) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is [4-[2-(4-cyanophenyl)ethenyl]phenoxy]methyl prop-2-enoate.

Molecular Properties

Compound Name[4-[2-(4-cyanophenyl)ethenyl]phenoxy]methyl prop-2-enoate
PubChem CID59273690
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name[4-[2-(4-cyanophenyl)ethenyl]phenoxy]methyl prop-2-enoate
SMILESC=CC(=O)OCOc1ccc(C=Cc2ccc(C#N)cc2)cc1
InChIInChI=1S/C19H15NO3/c1-2-19(21)23-14-22-18-11-9-16(10-12-18)4-3-15-5-7-17(13-20)8-6-15/h2-12H,1,14H2
InChIKeyCHGOQRNBBVZZEG-UHFFFAOYSA-N
XLogP3.79
TPSA59.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze [4-[2-(4-cyanophenyl)ethenyl]phenoxy]methyl prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-[(E)-2-(4-cyanophenyl)ethenyl]phenoxy]butyl prop-2-enoate
CID 20615357
[4-[2-(4-cyanophenyl)ethyl]phenoxy]methyl prop-2-enoate
CID 59273684
8-[4-(4-cyanophenyl)phenoxy]octyl prop-2-enoate
CID 67732032
7-[4-(4-cyanophenyl)phenoxy]heptyl prop-2-enoate
CID 67732052
[4-(4-cyanophenoxy)carbonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-(4-methoxyphenoxy)carbonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)phenoxy]carbonylphenyl] 4-methoxybenzoate;[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylphenyl] 4-methoxybenzoate
CID 161374269
tetrakis([4-(4-cyanophenyl)phenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate);tetrakis([4-(4-cyanophenyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate);methane;[4-(4-methylphenyl)phenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;bis([4-(4-methylphenyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate)
CID 158733711
methane;4-(prop-2-enoyloxymethoxy)benzoic acid
CID 158280789
2-[4-[[4-(4-cyanophenyl)phenyl]methyl]phenoxy]ethyl prop-2-enoate
CID 59642173
[4-[4-(methoxymethoxy)phenyl]phenoxy]methyl prop-2-enoate
CID 59281810
[4-(4-isocyanophenyl)phenoxy]methyl prop-2-enoate
CID 58722719
(4-cyanophenyl) 4-(3-prop-2-enoyloxypropoxy)benzoate
CID 59768911
methane;[4-[[4-[(4-prop-2-enoyloxyphenyl)methyl]phenyl]methyl]phenoxy]methyl prop-2-enoate
CID 157445975

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-cyanophenyl)ethenyl]phenoxy]methyl prop-2-enoate?
The IUPAC name of [4-[2-(4-cyanophenyl)ethenyl]phenoxy]methyl prop-2-enoate (CID 59273690) is [4-[2-(4-cyanophenyl)ethenyl]phenoxy]methyl prop-2-enoate.
What is the SMILES notation for [4-[2-(4-cyanophenyl)ethenyl]phenoxy]methyl prop-2-enoate?
The canonical SMILES for [4-[2-(4-cyanophenyl)ethenyl]phenoxy]methyl prop-2-enoate is C=CC(=O)OCOc1ccc(C=Cc2ccc(C#N)cc2)cc1.
What is the InChIKey of [4-[2-(4-cyanophenyl)ethenyl]phenoxy]methyl prop-2-enoate?
The InChIKey is CHGOQRNBBVZZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3/c1-2-19(21)23-14-22-18-11-9-16(10-12-18)4-3-15-5-7-17(13-20)8-6-15/h2-12H,1,14H2.
What are the key properties of [4-[2-(4-cyanophenyl)ethenyl]phenoxy]methyl prop-2-enoate?
[4-[2-(4-cyanophenyl)ethenyl]phenoxy]methyl prop-2-enoate has a molecular weight of 305.33 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-cyanophenyl)ethenyl]phenoxy]methyl prop-2-enoate is sourced from PubChem (CID 59273690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).