ethyl (Z)-3-(4-methoxyphenyl)-3-(oxolan-2-yl)prop-2-enoate

C16H20O4 — CID 162409010

IUPACethyl (Z)-3-(4-methoxyphenyl)-3-(oxolan-2-yl)prop-2-enoate
SMILESCCOC(=O)/C=C(/c1ccc(OC)cc1)C1CCCO1
InChIInChI=1S/C16H20O4/c1-3-19-16(17)11-14(15-5-4-10-20-15)12-6-8-13(18-2)9-7-12/h6-9,11,15H,3-5,10H2,1-2H3/b14-11-
InChIKeyYAGOGZBFSLSSIJ-KAMYIIQDSA-N
MW276.33 g/mol
LogP2.82
Rot. Bonds5

About ethyl (Z)-3-(4-methoxyphenyl)-3-(oxolan-2-yl)prop-2-enoate

ethyl (Z)-3-(4-methoxyphenyl)-3-(oxolan-2-yl)prop-2-enoate (PubChem CID 162409010) has the molecular formula C16H20O4 and a molecular weight of 276.33 g/mol. Its IUPAC name is ethyl (Z)-3-(4-methoxyphenyl)-3-(oxolan-2-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-(4-methoxyphenyl)-3-(oxolan-2-yl)prop-2-enoate
PubChem CID162409010
Molecular FormulaC16H20O4
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Nameethyl (Z)-3-(4-methoxyphenyl)-3-(oxolan-2-yl)prop-2-enoate
SMILESCCOC(=O)/C=C(/c1ccc(OC)cc1)C1CCCO1
InChIInChI=1S/C16H20O4/c1-3-19-16(17)11-14(15-5-4-10-20-15)12-6-8-13(18-2)9-7-12/h6-9,11,15H,3-5,10H2,1-2H3/b14-11-
InChIKeyYAGOGZBFSLSSIJ-KAMYIIQDSA-N
XLogP2.82
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 52.82
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

(4-methoxyphenyl)-(oxan-2-yl)methanone
CID 62212790
ethyl 3-(4-methoxyphenyl)-3-phenylprop-2-enoate
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ethyl (Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enoate
CID 10967969
ethyl (Z)-3-(4-methoxyphenoxy)but-2-enoate
CID 66894793
ethyl 4-[(4-methoxyphenyl)methyl]-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxylate
CID 25298390
ethyl (E)-3-amino-3-(4-methoxyanilino)prop-2-enoate
CID 737874
ethyl (2E)-2-[(2E)-2-[(4-methoxyphenyl)methylidene]cyclopentylidene]acetate
CID 10802142
N-[2-(4-methoxyphenyl)-2-methylpropyl]oxolane-2-carboxamide
CID 47472788
diethyl 2-[(Z)-1-(4-methoxyphenyl)prop-1-enyl]cyclobutane-1,1-dicarboxylate
CID 101202224
2-(1,3-dioxolan-2-yl)-1-(4-methoxyphenyl)ethanone
CID 66570582
ethyl 4-(4-methoxyphenyl)-3-methylbut-2-enoate
CID 54482573
4-methoxy-N,N-bis[[(2S)-oxolan-2-yl]methyl]benzamide
CID 94815353

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-(4-methoxyphenyl)-3-(oxolan-2-yl)prop-2-enoate?
The IUPAC name of ethyl (Z)-3-(4-methoxyphenyl)-3-(oxolan-2-yl)prop-2-enoate (CID 162409010) is ethyl (Z)-3-(4-methoxyphenyl)-3-(oxolan-2-yl)prop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-(4-methoxyphenyl)-3-(oxolan-2-yl)prop-2-enoate?
The canonical SMILES for ethyl (Z)-3-(4-methoxyphenyl)-3-(oxolan-2-yl)prop-2-enoate is CCOC(=O)/C=C(/c1ccc(OC)cc1)C1CCCO1.
What is the InChIKey of ethyl (Z)-3-(4-methoxyphenyl)-3-(oxolan-2-yl)prop-2-enoate?
The InChIKey is YAGOGZBFSLSSIJ-KAMYIIQDSA-N. The full InChI is InChI=1S/C16H20O4/c1-3-19-16(17)11-14(15-5-4-10-20-15)12-6-8-13(18-2)9-7-12/h6-9,11,15H,3-5,10H2,1-2H3/b14-11-.
What are the key properties of ethyl (Z)-3-(4-methoxyphenyl)-3-(oxolan-2-yl)prop-2-enoate?
ethyl (Z)-3-(4-methoxyphenyl)-3-(oxolan-2-yl)prop-2-enoate has a molecular weight of 276.33 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-(4-methoxyphenyl)-3-(oxolan-2-yl)prop-2-enoate is sourced from PubChem (CID 162409010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).