(4-cyano-2-methoxyphenyl) (E)-3-(3-methoxyphenyl)prop-2-enoate

C18H15NO4 — CID 2715605

IUPAC(4-cyano-2-methoxyphenyl) (E)-3-(3-methoxyphenyl)prop-2-enoate
SMILESCOc1cccc(/C=C/C(=O)Oc2ccc(C#N)cc2OC)c1
InChIInChI=1S/C18H15NO4/c1-21-15-5-3-4-13(10-15)7-9-18(20)23-16-8-6-14(12-19)11-17(16)22-2/h3-11H,1-2H3/b9-7+
InChIKeySBCNDSZJFSLUEN-VQHVLOKHSA-N
MW309.32 g/mol
LogP3.19
Rot. Bonds5

About (4-cyano-2-methoxyphenyl) (E)-3-(3-methoxyphenyl)prop-2-enoate

(4-cyano-2-methoxyphenyl) (E)-3-(3-methoxyphenyl)prop-2-enoate (PubChem CID 2715605) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is (4-cyano-2-methoxyphenyl) (E)-3-(3-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name(4-cyano-2-methoxyphenyl) (E)-3-(3-methoxyphenyl)prop-2-enoate
PubChem CID2715605
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name(4-cyano-2-methoxyphenyl) (E)-3-(3-methoxyphenyl)prop-2-enoate
SMILESCOc1cccc(/C=C/C(=O)Oc2ccc(C#N)cc2OC)c1
InChIInChI=1S/C18H15NO4/c1-21-15-5-3-4-13(10-15)7-9-18(20)23-16-8-6-14(12-19)11-17(16)22-2/h3-11H,1-2H3/b9-7+
InChIKeySBCNDSZJFSLUEN-VQHVLOKHSA-N
XLogP3.19
TPSA68.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.19
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'}

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Related Compounds

(4-cyano-2-methoxyphenyl) (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 26892097
methyl 4-[(E)-3-(4-cyano-2-methoxyphenoxy)-3-oxoprop-1-enyl]benzoate
CID 8501705
[4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 7997515
(2-chloro-4-cyano-6-ethoxyphenyl) (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 8624303
(4-cyano-2-methoxyphenyl) (E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoate
CID 18278969
[3-methoxy-4-(3-phenylprop-2-enoyloxy)phenyl] 3-phenylprop-2-enoate
CID 123758297
methyl 3-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]oxybenzoate
CID 7924254
(2-methoxyphenyl) (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate
CID 26688230
(4-cyanophenyl) 3-(4-methoxyphenyl)prop-2-enoate
CID 4117354
[2-methoxy-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate
CID 36828005
(2-acetyl-3-methoxyphenyl) (E)-3-(4-acetyloxy-3-methoxyphenyl)prop-2-enoate
CID 71569085
[2-methoxy-4-[(E)-prop-1-enyl]phenyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 152820667

Frequently Asked Questions

What is the IUPAC name of (4-cyano-2-methoxyphenyl) (E)-3-(3-methoxyphenyl)prop-2-enoate?
The IUPAC name of (4-cyano-2-methoxyphenyl) (E)-3-(3-methoxyphenyl)prop-2-enoate (CID 2715605) is (4-cyano-2-methoxyphenyl) (E)-3-(3-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for (4-cyano-2-methoxyphenyl) (E)-3-(3-methoxyphenyl)prop-2-enoate?
The canonical SMILES for (4-cyano-2-methoxyphenyl) (E)-3-(3-methoxyphenyl)prop-2-enoate is COc1cccc(/C=C/C(=O)Oc2ccc(C#N)cc2OC)c1.
What is the InChIKey of (4-cyano-2-methoxyphenyl) (E)-3-(3-methoxyphenyl)prop-2-enoate?
The InChIKey is SBCNDSZJFSLUEN-VQHVLOKHSA-N. The full InChI is InChI=1S/C18H15NO4/c1-21-15-5-3-4-13(10-15)7-9-18(20)23-16-8-6-14(12-19)11-17(16)22-2/h3-11H,1-2H3/b9-7+.
What are the key properties of (4-cyano-2-methoxyphenyl) (E)-3-(3-methoxyphenyl)prop-2-enoate?
(4-cyano-2-methoxyphenyl) (E)-3-(3-methoxyphenyl)prop-2-enoate has a molecular weight of 309.32 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyano-2-methoxyphenyl) (E)-3-(3-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 2715605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).