methyl (E)-3-methoxy-2-(4-methylphenyl)prop-2-enoate

C12H14O3 — CID 11074540

IUPACmethyl (E)-3-methoxy-2-(4-methylphenyl)prop-2-enoate
SMILESCO/C=C(/C(=O)OC)c1ccc(C)cc1
InChIInChI=1S/C12H14O3/c1-9-4-6-10(7-5-9)11(8-14-2)12(13)15-3/h4-8H,1-3H3/b11-8+
InChIKeyMKJPTXLXUYSVOY-DHZHZOJOSA-N
MW206.24 g/mol
LogP2.16
Rot. Bonds3

About methyl (E)-3-methoxy-2-(4-methylphenyl)prop-2-enoate

methyl (E)-3-methoxy-2-(4-methylphenyl)prop-2-enoate (PubChem CID 11074540) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is methyl (E)-3-methoxy-2-(4-methylphenyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-methoxy-2-(4-methylphenyl)prop-2-enoate
PubChem CID11074540
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Namemethyl (E)-3-methoxy-2-(4-methylphenyl)prop-2-enoate
SMILESCO/C=C(/C(=O)OC)c1ccc(C)cc1
InChIInChI=1S/C12H14O3/c1-9-4-6-10(7-5-9)11(8-14-2)12(13)15-3/h4-8H,1-3H3/b11-8+
InChIKeyMKJPTXLXUYSVOY-DHZHZOJOSA-N
XLogP2.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

methyl 3-hydroxy-2-(4-methylphenyl)prop-2-enoate
CID 130130051
methyl (E)-2-(2,5-dimethylphenyl)-3-methoxyprop-2-enoate
CID 67563358
methyl (E)-3-azido-2-(4-methylphenyl)prop-2-enoate
CID 177460454
methyl 2-(3-hydroxyphenyl)-3-methoxyprop-2-enoate
CID 54308032
dimethyl (Z)-2,3-bis(4-methylbenzoyl)but-2-enedioate
CID 102211491
methyl 4-methylbenzoate
CID 91113291
methyl 4-methylbenzoate
CID 7455
methyl (E)-2-(3-bromo-1-benzothiophen-5-yl)-3-methoxyprop-2-enoate
CID 166823964
2-[(Z)-1,3-dimethoxy-3-oxoprop-1-en-2-yl]benzoic acid
CID 12680860
methyl (E)-3-methoxy-2-(4-methylphenyl)sulfonyloxyprop-2-enoate
CID 102497085
methyl (Z)-2-(4-fluorophenyl)-3-hydroxyprop-2-enoate
CID 67828382
ethyl (E)-2-(4-methylphenyl)but-2-enoate
CID 88506230

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-methoxy-2-(4-methylphenyl)prop-2-enoate?
The IUPAC name of methyl (E)-3-methoxy-2-(4-methylphenyl)prop-2-enoate (CID 11074540) is methyl (E)-3-methoxy-2-(4-methylphenyl)prop-2-enoate.
What is the SMILES notation for methyl (E)-3-methoxy-2-(4-methylphenyl)prop-2-enoate?
The canonical SMILES for methyl (E)-3-methoxy-2-(4-methylphenyl)prop-2-enoate is CO/C=C(/C(=O)OC)c1ccc(C)cc1.
What is the InChIKey of methyl (E)-3-methoxy-2-(4-methylphenyl)prop-2-enoate?
The InChIKey is MKJPTXLXUYSVOY-DHZHZOJOSA-N. The full InChI is InChI=1S/C12H14O3/c1-9-4-6-10(7-5-9)11(8-14-2)12(13)15-3/h4-8H,1-3H3/b11-8+.
What are the key properties of methyl (E)-3-methoxy-2-(4-methylphenyl)prop-2-enoate?
methyl (E)-3-methoxy-2-(4-methylphenyl)prop-2-enoate has a molecular weight of 206.24 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-methoxy-2-(4-methylphenyl)prop-2-enoate is sourced from PubChem (CID 11074540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).