ethyl (E)-5-(3-methoxy-2-phenylmethoxyphenyl)pent-2-enoate

C21H24O4 — CID 25208371

IUPACethyl (E)-5-(3-methoxy-2-phenylmethoxyphenyl)pent-2-enoate
SMILESCCOC(=O)/C=C/CCc1cccc(OC)c1OCc1ccccc1
InChIInChI=1S/C21H24O4/c1-3-24-20(22)15-8-7-12-18-13-9-14-19(23-2)21(18)25-16-17-10-5-4-6-11-17/h4-6,8-11,13-15H,3,7,12,16H2,1-2H3/b15-8+
InChIKeyRIDZANXELVKPDE-OVCLIPMQSA-N
MW340.42 g/mol
LogP4.33
Rot. Bonds9

About ethyl (E)-5-(3-methoxy-2-phenylmethoxyphenyl)pent-2-enoate

ethyl (E)-5-(3-methoxy-2-phenylmethoxyphenyl)pent-2-enoate (PubChem CID 25208371) has the molecular formula C21H24O4 and a molecular weight of 340.42 g/mol. Its IUPAC name is ethyl (E)-5-(3-methoxy-2-phenylmethoxyphenyl)pent-2-enoate.

Molecular Properties

Compound Nameethyl (E)-5-(3-methoxy-2-phenylmethoxyphenyl)pent-2-enoate
PubChem CID25208371
Molecular FormulaC21H24O4
Molecular Weight340.42 g/mol
Exact Mass340.17
IUPAC Nameethyl (E)-5-(3-methoxy-2-phenylmethoxyphenyl)pent-2-enoate
SMILESCCOC(=O)/C=C/CCc1cccc(OC)c1OCc1ccccc1
InChIInChI=1S/C21H24O4/c1-3-24-20(22)15-8-7-12-18-13-9-14-19(23-2)21(18)25-16-17-10-5-4-6-11-17/h4-6,8-11,13-15H,3,7,12,16H2,1-2H3/b15-8+
InChIKeyRIDZANXELVKPDE-OVCLIPMQSA-N
XLogP4.33
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-4-(2-bromo-4-methoxy-5-phenylmethoxyphenyl)but-2-enoate
CID 71713736
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ethyl (E)-5-(3-methylphenyl)pent-2-enoate
CID 140750372
ethyl (2E,6Z)-8-phenylmethoxyocta-2,6-dienoate
CID 10084732
ethyl (Z)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoate
CID 92840869
ethyl 3-[4-[(2-phenylmethoxyphenyl)methyl]phenyl]prop-2-enoate
CID 91099844
benzyl hex-2-enoate
CID 3828590
ethyl 5-(4-methoxyphenyl)pent-2-enoate
CID 66971568
ethyl (2E,4E)-7-phenylhepta-2,4-dienoate
CID 20628704
3-methoxy-2-phenylmethoxybenzoyl chloride
CID 22736875
4-(3-ethoxy-2-phenylmethoxyphenyl)butan-1-amine
CID 117482452
ethyl (Z)-3-(2-benzyl-3-methoxyphenyl)prop-2-enoate
CID 142648708

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-5-(3-methoxy-2-phenylmethoxyphenyl)pent-2-enoate?
The IUPAC name of ethyl (E)-5-(3-methoxy-2-phenylmethoxyphenyl)pent-2-enoate (CID 25208371) is ethyl (E)-5-(3-methoxy-2-phenylmethoxyphenyl)pent-2-enoate.
What is the SMILES notation for ethyl (E)-5-(3-methoxy-2-phenylmethoxyphenyl)pent-2-enoate?
The canonical SMILES for ethyl (E)-5-(3-methoxy-2-phenylmethoxyphenyl)pent-2-enoate is CCOC(=O)/C=C/CCc1cccc(OC)c1OCc1ccccc1.
What is the InChIKey of ethyl (E)-5-(3-methoxy-2-phenylmethoxyphenyl)pent-2-enoate?
The InChIKey is RIDZANXELVKPDE-OVCLIPMQSA-N. The full InChI is InChI=1S/C21H24O4/c1-3-24-20(22)15-8-7-12-18-13-9-14-19(23-2)21(18)25-16-17-10-5-4-6-11-17/h4-6,8-11,13-15H,3,7,12,16H2,1-2H3/b15-8+.
What are the key properties of ethyl (E)-5-(3-methoxy-2-phenylmethoxyphenyl)pent-2-enoate?
ethyl (E)-5-(3-methoxy-2-phenylmethoxyphenyl)pent-2-enoate has a molecular weight of 340.42 g/mol, XLogP of 4.33, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-5-(3-methoxy-2-phenylmethoxyphenyl)pent-2-enoate is sourced from PubChem (CID 25208371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).