methyl 3-(2-methoxy-5-methylphenyl)prop-2-enoate

C12H14O3 — CID 54032355

IUPACmethyl 3-(2-methoxy-5-methylphenyl)prop-2-enoate
SMILESCOC(=O)C=Cc1cc(C)ccc1OC
InChIInChI=1S/C12H14O3/c1-9-4-6-11(14-2)10(8-9)5-7-12(13)15-3/h4-8H,1-3H3
InChIKeyLGMMYQRCYZPGFG-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.19
Rot. Bonds3

About methyl 3-(2-methoxy-5-methylphenyl)prop-2-enoate

methyl 3-(2-methoxy-5-methylphenyl)prop-2-enoate (PubChem CID 54032355) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is methyl 3-(2-methoxy-5-methylphenyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-(2-methoxy-5-methylphenyl)prop-2-enoate
PubChem CID54032355
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Namemethyl 3-(2-methoxy-5-methylphenyl)prop-2-enoate
SMILESCOC(=O)C=Cc1cc(C)ccc1OC
InChIInChI=1S/C12H14O3/c1-9-4-6-11(14-2)10(8-9)5-7-12(13)15-3/h4-8H,1-3H3
InChIKeyLGMMYQRCYZPGFG-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(2-methoxy-4-methylphenyl)prop-2-enoate
CID 74833578
methyl (E)-3-(2-methoxy-4-methylphenyl)(113C)prop-2-enoate
CID 42638371
(4-tert-butyl-2-methylphenyl) (E)-3-(2-methoxy-5-methylphenyl)prop-2-enoate
CID 7669445
(E)-N-cyclopropyl-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 9210143
(E)-N-(3,4-dimethoxyphenyl)-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 7668851
2-[[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]amino]acetic acid
CID 43241711
[4-(ethylcarbamoyl)phenyl] (E)-3-(2-methoxy-5-methylphenyl)prop-2-enoate
CID 86960889
(E)-N-(2,4-dibromophenyl)-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 16562719
methyl (E)-3-(2-ethoxy-4-methylphenyl)prop-2-enoate
CID 20596318
2-[[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]amino]benzamide
CID 17428682
methyl 3-[[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]amino]-4-methylbenzoate
CID 7669545
(2-bromo-3-pyridinyl) (E)-3-(2-methoxy-5-methylphenyl)prop-2-enoate
CID 60581600

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-methoxy-5-methylphenyl)prop-2-enoate?
The IUPAC name of methyl 3-(2-methoxy-5-methylphenyl)prop-2-enoate (CID 54032355) is methyl 3-(2-methoxy-5-methylphenyl)prop-2-enoate.
What is the SMILES notation for methyl 3-(2-methoxy-5-methylphenyl)prop-2-enoate?
The canonical SMILES for methyl 3-(2-methoxy-5-methylphenyl)prop-2-enoate is COC(=O)C=Cc1cc(C)ccc1OC.
What is the InChIKey of methyl 3-(2-methoxy-5-methylphenyl)prop-2-enoate?
The InChIKey is LGMMYQRCYZPGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-9-4-6-11(14-2)10(8-9)5-7-12(13)15-3/h4-8H,1-3H3.
What are the key properties of methyl 3-(2-methoxy-5-methylphenyl)prop-2-enoate?
methyl 3-(2-methoxy-5-methylphenyl)prop-2-enoate has a molecular weight of 206.24 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-methoxy-5-methylphenyl)prop-2-enoate is sourced from PubChem (CID 54032355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).