methyl 3-methoxy-2-[2-methyl-5-(4-methylphenyl)phenoxy]prop-2-enoate

C19H20O4 — CID 139879842

IUPACmethyl 3-methoxy-2-[2-methyl-5-(4-methylphenyl)phenoxy]prop-2-enoate
SMILESCOC=C(Oc1cc(-c2ccc(C)cc2)ccc1C)C(=O)OC
InChIInChI=1S/C19H20O4/c1-13-5-8-15(9-6-13)16-10-7-14(2)17(11-16)23-18(12-21-3)19(20)22-4/h5-12H,1-4H3
InChIKeyITEZRVQAMMVQAJ-UHFFFAOYSA-N
MW312.37 g/mol
LogP4.01
Rot. Bonds5

About methyl 3-methoxy-2-[2-methyl-5-(4-methylphenyl)phenoxy]prop-2-enoate

methyl 3-methoxy-2-[2-methyl-5-(4-methylphenyl)phenoxy]prop-2-enoate (PubChem CID 139879842) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is methyl 3-methoxy-2-[2-methyl-5-(4-methylphenyl)phenoxy]prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-methoxy-2-[2-methyl-5-(4-methylphenyl)phenoxy]prop-2-enoate
PubChem CID139879842
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Namemethyl 3-methoxy-2-[2-methyl-5-(4-methylphenyl)phenoxy]prop-2-enoate
SMILESCOC=C(Oc1cc(-c2ccc(C)cc2)ccc1C)C(=O)OC
InChIInChI=1S/C19H20O4/c1-13-5-8-15(9-6-13)16-10-7-14(2)17(11-16)23-18(12-21-3)19(20)22-4/h5-12H,1-4H3
InChIKeyITEZRVQAMMVQAJ-UHFFFAOYSA-N
XLogP4.01
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.01
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

methyl (Z)-2-(5-amino-2-methylphenoxy)-3-methoxyprop-2-enoate
CID 163608092
methyl (Z)-2-[5-(4,4-dimethylcyclohexyl)-2-methylphenoxy]-3-methoxyprop-2-enoate
CID 164834256
methyl (Z)-2-[5-(3-chloropyrazol-1-yl)-2-methylphenoxy]-3-methoxyprop-2-enoate
CID 162486638
methyl (Z)-3-methoxy-2-[5-(3-methoxypyrazol-1-yl)-2-methylphenoxy]prop-2-enoate
CID 162486622
methyl (Z)-2-[5-[3-[chloro(difluoro)methyl]pyrazol-1-yl]-2-methylphenoxy]-3-methoxyprop-2-enoate
CID 162486657
methyl (Z)-3-methoxy-2-[5-[4-(methoxymethyl)pyrazol-1-yl]-2-methylphenoxy]prop-2-enoate
CID 162486682
methyl (Z)-2-(5-acetyl-2-methylphenoxy)-3-hydroxyprop-2-enoate
CID 70257408
methyl (Z)-4-hydroxy-2-(2-methyl-5-thiophen-2-ylphenoxy)but-2-enoate
CID 161416858
methyl (E)-3-methoxy-2-(4-methylphenyl)sulfonyloxyprop-2-enoate
CID 102497085
methyl 5-bromo-2-[(E)-1,3-dimethoxy-3-oxoprop-1-en-2-yl]oxybenzoate
CID 70193231
[2-(4-methylphenyl)-2-oxoethyl] 2-(1,3-dimethoxy-3-oxoprop-1-en-2-yl)oxybenzoate
CID 70191782
methyl (E)-2-(2,5-dimethylphenyl)-3-methoxyprop-2-enoate
CID 67563358

Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-2-[2-methyl-5-(4-methylphenyl)phenoxy]prop-2-enoate?
The IUPAC name of methyl 3-methoxy-2-[2-methyl-5-(4-methylphenyl)phenoxy]prop-2-enoate (CID 139879842) is methyl 3-methoxy-2-[2-methyl-5-(4-methylphenyl)phenoxy]prop-2-enoate.
What is the SMILES notation for methyl 3-methoxy-2-[2-methyl-5-(4-methylphenyl)phenoxy]prop-2-enoate?
The canonical SMILES for methyl 3-methoxy-2-[2-methyl-5-(4-methylphenyl)phenoxy]prop-2-enoate is COC=C(Oc1cc(-c2ccc(C)cc2)ccc1C)C(=O)OC.
What is the InChIKey of methyl 3-methoxy-2-[2-methyl-5-(4-methylphenyl)phenoxy]prop-2-enoate?
The InChIKey is ITEZRVQAMMVQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O4/c1-13-5-8-15(9-6-13)16-10-7-14(2)17(11-16)23-18(12-21-3)19(20)22-4/h5-12H,1-4H3.
What are the key properties of methyl 3-methoxy-2-[2-methyl-5-(4-methylphenyl)phenoxy]prop-2-enoate?
methyl 3-methoxy-2-[2-methyl-5-(4-methylphenyl)phenoxy]prop-2-enoate has a molecular weight of 312.37 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-2-[2-methyl-5-(4-methylphenyl)phenoxy]prop-2-enoate is sourced from PubChem (CID 139879842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).