ethyl (Z)-3-(2-benzyl-3-methoxyphenyl)prop-2-enoate

C19H20O3 — CID 142648708

IUPACethyl (Z)-3-(2-benzyl-3-methoxyphenyl)prop-2-enoate
SMILESCCOC(=O)/C=C\c1cccc(OC)c1Cc1ccccc1
InChIInChI=1S/C19H20O3/c1-3-22-19(20)13-12-16-10-7-11-18(21-2)17(16)14-15-8-5-4-6-9-15/h4-13H,3,14H2,1-2H3/b13-12-
InChIKeyOSMUHOJADAINKV-SEYXRHQNSA-N
MW296.37 g/mol
LogP3.86
Rot. Bonds6

About ethyl (Z)-3-(2-benzyl-3-methoxyphenyl)prop-2-enoate

ethyl (Z)-3-(2-benzyl-3-methoxyphenyl)prop-2-enoate (PubChem CID 142648708) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is ethyl (Z)-3-(2-benzyl-3-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-(2-benzyl-3-methoxyphenyl)prop-2-enoate
PubChem CID142648708
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Nameethyl (Z)-3-(2-benzyl-3-methoxyphenyl)prop-2-enoate
SMILESCCOC(=O)/C=C\c1cccc(OC)c1Cc1ccccc1
InChIInChI=1S/C19H20O3/c1-3-22-19(20)13-12-16-10-7-11-18(21-2)17(16)14-15-8-5-4-6-9-15/h4-13H,3,14H2,1-2H3/b13-12-
InChIKeyOSMUHOJADAINKV-SEYXRHQNSA-N
XLogP3.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.86
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

2-(3-ethoxy-3-oxoprop-1-enyl)-6-methoxybenzoic acid
CID 169480788
ethyl (E)-3-(2-fluoro-3-methoxyphenyl)prop-2-enoate
CID 119086600
ethyl 3-(2,6-dimethoxyphenyl)prop-2-enoate
CID 53401866
ethyl (E)-3-(2,6-dimethoxyphenyl)prop-2-enoate
CID 15183932
ethyl (2E,4E)-5-(2-methoxyphenyl)penta-2,4-dienoate
CID 87212228
ethyl (E)-3-(2-ethyl-3-fluoro-4-methoxyphenyl)prop-2-enoate
CID 58566362
ethyl (E)-3-(4-benzylphenyl)prop-2-enoate
CID 67528407
ethyl (E)-3-(2-methoxy-6-phenylphenyl)prop-2-enoate
CID 102081965
ethyl 3-[2-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoate
CID 140807744
ethyl (E)-3-(3-hydroxy-2-methoxyphenyl)prop-2-enoate
CID 56950643
ethyl (Z)-3-naphthalen-1-ylprop-2-enoate
CID 101030806
ethyl (E)-3-(5-fluoro-2-methoxyphenyl)prop-2-enoate
CID 10537093

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-(2-benzyl-3-methoxyphenyl)prop-2-enoate?
The IUPAC name of ethyl (Z)-3-(2-benzyl-3-methoxyphenyl)prop-2-enoate (CID 142648708) is ethyl (Z)-3-(2-benzyl-3-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-(2-benzyl-3-methoxyphenyl)prop-2-enoate?
The canonical SMILES for ethyl (Z)-3-(2-benzyl-3-methoxyphenyl)prop-2-enoate is CCOC(=O)/C=C\c1cccc(OC)c1Cc1ccccc1.
What is the InChIKey of ethyl (Z)-3-(2-benzyl-3-methoxyphenyl)prop-2-enoate?
The InChIKey is OSMUHOJADAINKV-SEYXRHQNSA-N. The full InChI is InChI=1S/C19H20O3/c1-3-22-19(20)13-12-16-10-7-11-18(21-2)17(16)14-15-8-5-4-6-9-15/h4-13H,3,14H2,1-2H3/b13-12-.
What are the key properties of ethyl (Z)-3-(2-benzyl-3-methoxyphenyl)prop-2-enoate?
ethyl (Z)-3-(2-benzyl-3-methoxyphenyl)prop-2-enoate has a molecular weight of 296.37 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-(2-benzyl-3-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 142648708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).