ethyl (E)-3-(2-methoxy-6-phenylphenyl)prop-2-enoate

C18H18O3 — CID 102081965

IUPACethyl (E)-3-(2-methoxy-6-phenylphenyl)prop-2-enoate
SMILESCCOC(=O)/C=C/c1c(OC)cccc1-c1ccccc1
InChIInChI=1S/C18H18O3/c1-3-21-18(19)13-12-16-15(10-7-11-17(16)20-2)14-8-5-4-6-9-14/h4-13H,3H2,1-2H3/b13-12+
InChIKeyFSIJKYBFLNQWPR-OUKQBFOZSA-N
MW282.34 g/mol
LogP3.94
Rot. Bonds5

About ethyl (E)-3-(2-methoxy-6-phenylphenyl)prop-2-enoate

ethyl (E)-3-(2-methoxy-6-phenylphenyl)prop-2-enoate (PubChem CID 102081965) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is ethyl (E)-3-(2-methoxy-6-phenylphenyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-(2-methoxy-6-phenylphenyl)prop-2-enoate
PubChem CID102081965
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Nameethyl (E)-3-(2-methoxy-6-phenylphenyl)prop-2-enoate
SMILESCCOC(=O)/C=C/c1c(OC)cccc1-c1ccccc1
InChIInChI=1S/C18H18O3/c1-3-21-18(19)13-12-16-15(10-7-11-17(16)20-2)14-8-5-4-6-9-14/h4-13H,3H2,1-2H3/b13-12+
InChIKeyFSIJKYBFLNQWPR-OUKQBFOZSA-N
XLogP3.94
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-(2,6-dimethoxyphenyl)prop-2-enoate
CID 53401866
ethyl (E)-3-(2,6-dimethoxyphenyl)prop-2-enoate
CID 15183932
ethyl (E)-3-(2-methoxynaphthalen-1-yl)prop-2-enoate
CID 24905749
ethyl (E)-3-(2,4-diphenylnaphthalen-1-yl)prop-2-enoate
CID 102265861
2-(3-ethoxy-3-oxoprop-1-enyl)-6-methoxybenzoic acid
CID 169480788
ethyl (Z)-3-(2-benzyl-3-methoxyphenyl)prop-2-enoate
CID 142648708
ethyl (E)-3-(2-fluoro-3-methoxyphenyl)prop-2-enoate
CID 119086600
ethyl (2E,4E)-5-(2-methoxyphenyl)penta-2,4-dienoate
CID 87212228
ethyl (E)-3-(3,6-dimethoxy-2-nitrophenyl)prop-2-enoate
CID 70587765
ethyl (E)-3-[2-methoxy-6-[(1R)-1-(oxetan-2-yloxy)ethyl]phenyl]prop-2-enoate
CID 149314492
ethyl (E)-3-(3,5-diphenylphenyl)prop-2-enoate
CID 22557638
(E)-3-[2-[2-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl]phenyl]prop-2-enoic acid
CID 22301101

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-(2-methoxy-6-phenylphenyl)prop-2-enoate?
The IUPAC name of ethyl (E)-3-(2-methoxy-6-phenylphenyl)prop-2-enoate (CID 102081965) is ethyl (E)-3-(2-methoxy-6-phenylphenyl)prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-(2-methoxy-6-phenylphenyl)prop-2-enoate?
The canonical SMILES for ethyl (E)-3-(2-methoxy-6-phenylphenyl)prop-2-enoate is CCOC(=O)/C=C/c1c(OC)cccc1-c1ccccc1.
What is the InChIKey of ethyl (E)-3-(2-methoxy-6-phenylphenyl)prop-2-enoate?
The InChIKey is FSIJKYBFLNQWPR-OUKQBFOZSA-N. The full InChI is InChI=1S/C18H18O3/c1-3-21-18(19)13-12-16-15(10-7-11-17(16)20-2)14-8-5-4-6-9-14/h4-13H,3H2,1-2H3/b13-12+.
What are the key properties of ethyl (E)-3-(2-methoxy-6-phenylphenyl)prop-2-enoate?
ethyl (E)-3-(2-methoxy-6-phenylphenyl)prop-2-enoate has a molecular weight of 282.34 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-(2-methoxy-6-phenylphenyl)prop-2-enoate is sourced from PubChem (CID 102081965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).