ethyl (Z,4S)-4-[(4-methoxyphenyl)methoxy]pent-2-enoate

C15H20O4 — CID 53380978

IUPACethyl (Z,4S)-4-[(4-methoxyphenyl)methoxy]pent-2-enoate
SMILESCCOC(=O)/C=C\[C@H](C)OCc1ccc(OC)cc1
InChIInChI=1S/C15H20O4/c1-4-18-15(16)10-5-12(2)19-11-13-6-8-14(17-3)9-7-13/h5-10,12H,4,11H2,1-3H3/b10-5-/t12-/m0/s1
InChIKeyFWKQELCZJOCLEA-JSJZCHLLSA-N
MW264.32 g/mol
LogP2.72
Rot. Bonds7

About ethyl (Z,4S)-4-[(4-methoxyphenyl)methoxy]pent-2-enoate

ethyl (Z,4S)-4-[(4-methoxyphenyl)methoxy]pent-2-enoate (PubChem CID 53380978) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is ethyl (Z,4S)-4-[(4-methoxyphenyl)methoxy]pent-2-enoate.

Molecular Properties

Compound Nameethyl (Z,4S)-4-[(4-methoxyphenyl)methoxy]pent-2-enoate
PubChem CID53380978
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Nameethyl (Z,4S)-4-[(4-methoxyphenyl)methoxy]pent-2-enoate
SMILESCCOC(=O)/C=C\[C@H](C)OCc1ccc(OC)cc1
InChIInChI=1S/C15H20O4/c1-4-18-15(16)10-5-12(2)19-11-13-6-8-14(17-3)9-7-13/h5-10,12H,4,11H2,1-3H3/b10-5-/t12-/m0/s1
InChIKeyFWKQELCZJOCLEA-JSJZCHLLSA-N
XLogP2.72
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.72
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,4R,5R)-5-[(4-methoxyphenyl)methoxy]-4-methyl-8-oxooct-2-enoate
CID 87287062
ethyl (E,4R,18R)-18-[tert-butyl(dimethyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]nonadec-2-enoate
CID 102142229
(2R)-2-[(4-methoxyphenyl)methoxy]propanal
CID 11138009
ethyl 2-[(4-methoxyphenyl)methoxy]butanoate
CID 64663670
(E,4S)-4-[(4-methoxyphenyl)methoxy]pent-2-en-1-ol
CID 56926948
ethyl (E,4R,5R)-5-(4-methoxyanilino)-4,6-bis(phenylmethoxy)hex-2-enoate
CID 102178394
ethyl 5-(4-methoxyphenyl)pent-2-enoate
CID 66971568
ethyl (E,5S,6S,7R)-6-hydroxy-8-[(4-methoxyphenyl)methoxy]-5,7-dimethyloct-2-enoate
CID 15449658
methyl (Z,4R)-4-phenylmethoxypent-2-enoate
CID 10082195
ethyl 2-[(4-methoxyphenyl)methoxyimino]acetate
CID 75985313
(Z,2S)-2-[(4-methoxyphenyl)methoxy]hex-4-en-3-one
CID 121458348
2-[(4-methoxyphenyl)methoxy]hex-4-en-3-one
CID 78069334

Frequently Asked Questions

What is the IUPAC name of ethyl (Z,4S)-4-[(4-methoxyphenyl)methoxy]pent-2-enoate?
The IUPAC name of ethyl (Z,4S)-4-[(4-methoxyphenyl)methoxy]pent-2-enoate (CID 53380978) is ethyl (Z,4S)-4-[(4-methoxyphenyl)methoxy]pent-2-enoate.
What is the SMILES notation for ethyl (Z,4S)-4-[(4-methoxyphenyl)methoxy]pent-2-enoate?
The canonical SMILES for ethyl (Z,4S)-4-[(4-methoxyphenyl)methoxy]pent-2-enoate is CCOC(=O)/C=C\[C@H](C)OCc1ccc(OC)cc1.
What is the InChIKey of ethyl (Z,4S)-4-[(4-methoxyphenyl)methoxy]pent-2-enoate?
The InChIKey is FWKQELCZJOCLEA-JSJZCHLLSA-N. The full InChI is InChI=1S/C15H20O4/c1-4-18-15(16)10-5-12(2)19-11-13-6-8-14(17-3)9-7-13/h5-10,12H,4,11H2,1-3H3/b10-5-/t12-/m0/s1.
What are the key properties of ethyl (Z,4S)-4-[(4-methoxyphenyl)methoxy]pent-2-enoate?
ethyl (Z,4S)-4-[(4-methoxyphenyl)methoxy]pent-2-enoate has a molecular weight of 264.32 g/mol, XLogP of 2.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z,4S)-4-[(4-methoxyphenyl)methoxy]pent-2-enoate is sourced from PubChem (CID 53380978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).