ethyl 2-[7-[(E)-2-(4-cyanophenyl)ethenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]acetate

C23H23NO2 — CID 10521456

IUPACethyl 2-[7-[(E)-2-(4-cyanophenyl)ethenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]acetate
SMILESCCOC(=O)CC1CCc2ccc(/C=C/c3ccc(C#N)cc3)cc2C1
InChIInChI=1S/C23H23NO2/c1-2-26-23(25)15-20-10-12-21-11-9-18(13-22(21)14-20)6-3-17-4-7-19(16-24)8-5-17/h3-9,11,13,20H,2,10,12,14-15H2,1H3/b6-3+
InChIKeyMPZBMPAXRQQTPJ-ZZXKWVIFSA-N
MW345.44 g/mol
LogP4.79
Rot. Bonds5

About ethyl 2-[7-[(E)-2-(4-cyanophenyl)ethenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]acetate

ethyl 2-[7-[(E)-2-(4-cyanophenyl)ethenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]acetate (PubChem CID 10521456) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is ethyl 2-[7-[(E)-2-(4-cyanophenyl)ethenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[7-[(E)-2-(4-cyanophenyl)ethenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]acetate
PubChem CID10521456
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC Nameethyl 2-[7-[(E)-2-(4-cyanophenyl)ethenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]acetate
SMILESCCOC(=O)CC1CCc2ccc(/C=C/c3ccc(C#N)cc3)cc2C1
InChIInChI=1S/C23H23NO2/c1-2-26-23(25)15-20-10-12-21-11-9-18(13-22(21)14-20)6-3-17-4-7-19(16-24)8-5-17/h3-9,11,13,20H,2,10,12,14-15H2,1H3/b6-3+
InChIKeyMPZBMPAXRQQTPJ-ZZXKWVIFSA-N
XLogP4.79
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[7-[(E)-2-(4-cyanophenyl)ethenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]acetate?
The IUPAC name of ethyl 2-[7-[(E)-2-(4-cyanophenyl)ethenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]acetate (CID 10521456) is ethyl 2-[7-[(E)-2-(4-cyanophenyl)ethenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]acetate.
What is the SMILES notation for ethyl 2-[7-[(E)-2-(4-cyanophenyl)ethenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]acetate?
The canonical SMILES for ethyl 2-[7-[(E)-2-(4-cyanophenyl)ethenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]acetate is CCOC(=O)CC1CCc2ccc(/C=C/c3ccc(C#N)cc3)cc2C1.
What is the InChIKey of ethyl 2-[7-[(E)-2-(4-cyanophenyl)ethenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]acetate?
The InChIKey is MPZBMPAXRQQTPJ-ZZXKWVIFSA-N. The full InChI is InChI=1S/C23H23NO2/c1-2-26-23(25)15-20-10-12-21-11-9-18(13-22(21)14-20)6-3-17-4-7-19(16-24)8-5-17/h3-9,11,13,20H,2,10,12,14-15H2,1H3/b6-3+.
What are the key properties of ethyl 2-[7-[(E)-2-(4-cyanophenyl)ethenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]acetate?
ethyl 2-[7-[(E)-2-(4-cyanophenyl)ethenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]acetate has a molecular weight of 345.44 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[7-[(E)-2-(4-cyanophenyl)ethenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]acetate is sourced from PubChem (CID 10521456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).