methyl 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenoxy]acetate

C17H15ClO3 — CID 5378591

IUPACmethyl 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(/C=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H15ClO3/c1-20-17(19)12-21-16-10-6-14(7-11-16)3-2-13-4-8-15(18)9-5-13/h2-11H,12H2,1H3/b3-2+
InChIKeyKGINMEMYQNAMNY-NSCUHMNNSA-N
MW302.76 g/mol
LogP4.06
Rot. Bonds5

About methyl 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenoxy]acetate

methyl 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenoxy]acetate (PubChem CID 5378591) has the molecular formula C17H15ClO3 and a molecular weight of 302.76 g/mol. Its IUPAC name is methyl 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenoxy]acetate
PubChem CID5378591
Molecular FormulaC17H15ClO3
Molecular Weight302.76 g/mol
Exact Mass302.07
IUPAC Namemethyl 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(/C=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H15ClO3/c1-20-17(19)12-21-16-10-6-14(7-11-16)3-2-13-4-8-15(18)9-5-13/h2-11H,12H2,1H3/b3-2+
InChIKeyKGINMEMYQNAMNY-NSCUHMNNSA-N
XLogP4.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 54.06
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 methyl 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenoxy]acetate?
The IUPAC name of methyl 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenoxy]acetate (CID 5378591) is methyl 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenoxy]acetate is COC(=O)COc1ccc(/C=C/c2ccc(Cl)cc2)cc1.
What is the InChIKey of methyl 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenoxy]acetate?
The InChIKey is KGINMEMYQNAMNY-NSCUHMNNSA-N. The full InChI is InChI=1S/C17H15ClO3/c1-20-17(19)12-21-16-10-6-14(7-11-16)3-2-13-4-8-15(18)9-5-13/h2-11H,12H2,1H3/b3-2+.
What are the key properties of methyl 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenoxy]acetate?
methyl 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenoxy]acetate has a molecular weight of 302.76 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenoxy]acetate is sourced from PubChem (CID 5378591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).