methyl (Z)-2-methoxy-3-(2-methoxyphenyl)prop-2-enoate

C12H14O4 — CID 10867868

IUPACmethyl (Z)-2-methoxy-3-(2-methoxyphenyl)prop-2-enoate
SMILESCOC(=O)/C(=C/c1ccccc1OC)OC
InChIInChI=1S/C12H14O4/c1-14-10-7-5-4-6-9(10)8-11(15-2)12(13)16-3/h4-8H,1-3H3/b11-8-
InChIKeyAIHWPJIYZKSGJL-FLIBITNWSA-N
MW222.24 g/mol
LogP1.86
Rot. Bonds4

About methyl (Z)-2-methoxy-3-(2-methoxyphenyl)prop-2-enoate

methyl (Z)-2-methoxy-3-(2-methoxyphenyl)prop-2-enoate (PubChem CID 10867868) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is methyl (Z)-2-methoxy-3-(2-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-methoxy-3-(2-methoxyphenyl)prop-2-enoate
PubChem CID10867868
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Namemethyl (Z)-2-methoxy-3-(2-methoxyphenyl)prop-2-enoate
SMILESCOC(=O)/C(=C/c1ccccc1OC)OC
InChIInChI=1S/C12H14O4/c1-14-10-7-5-4-6-9(10)8-11(15-2)12(13)16-3/h4-8H,1-3H3/b11-8-
InChIKeyAIHWPJIYZKSGJL-FLIBITNWSA-N
XLogP1.86
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 70489657
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CID 102363599
(2E,3E)-2,3-bis[(2-methoxyphenyl)methylidene]butanedial
CID 87977206
ethane;ethyl (Z)-2-amino-3-(2-methoxyphenyl)prop-2-enoate
CID 142093206
methyl 2-[(E)-1-fluoro-2-(2-methoxyphenyl)ethenyl]benzoate
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[2-(2-methoxyphenyl)-1-trimethylsilylethenyl]-trimethylsilane
CID 102296582
(2-amino-2-oxoethyl) 3-(2-methoxyphenyl)-2-phenylprop-2-enoate
CID 5025744
2-benzamido-3-(2-methoxyphenyl)prop-2-enoate
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trimethylsilyl (E)-2,3-bis(2-methoxyphenyl)prop-2-enoate
CID 10594452
1-[(1E,3E)-2,3-diisocyano-4-(2-methoxyphenyl)buta-1,3-dienyl]-2-methoxybenzene
CID 86626449
(E)-2-cyano-3-(2-methoxyphenyl)prop-2-enoate
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CID 75539548

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-methoxy-3-(2-methoxyphenyl)prop-2-enoate?
The IUPAC name of methyl (Z)-2-methoxy-3-(2-methoxyphenyl)prop-2-enoate (CID 10867868) is methyl (Z)-2-methoxy-3-(2-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for methyl (Z)-2-methoxy-3-(2-methoxyphenyl)prop-2-enoate?
The canonical SMILES for methyl (Z)-2-methoxy-3-(2-methoxyphenyl)prop-2-enoate is COC(=O)/C(=C/c1ccccc1OC)OC.
What is the InChIKey of methyl (Z)-2-methoxy-3-(2-methoxyphenyl)prop-2-enoate?
The InChIKey is AIHWPJIYZKSGJL-FLIBITNWSA-N. The full InChI is InChI=1S/C12H14O4/c1-14-10-7-5-4-6-9(10)8-11(15-2)12(13)16-3/h4-8H,1-3H3/b11-8-.
What are the key properties of methyl (Z)-2-methoxy-3-(2-methoxyphenyl)prop-2-enoate?
methyl (Z)-2-methoxy-3-(2-methoxyphenyl)prop-2-enoate has a molecular weight of 222.24 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-methoxy-3-(2-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 10867868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).