methyl 5-ethoxy-2-(2-methylprop-2-enoxy)benzoate

C14H18O4 — CID 58566599

IUPACmethyl 5-ethoxy-2-(2-methylprop-2-enoxy)benzoate
SMILESC=C(C)COc1ccc(OCC)cc1C(=O)OC
InChIInChI=1S/C14H18O4/c1-5-17-11-6-7-13(18-9-10(2)3)12(8-11)14(15)16-4/h6-8H,2,5,9H2,1,3-4H3
InChIKeyRWTKSUUHCFGZEV-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.83
Rot. Bonds6

About methyl 5-ethoxy-2-(2-methylprop-2-enoxy)benzoate

methyl 5-ethoxy-2-(2-methylprop-2-enoxy)benzoate (PubChem CID 58566599) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is methyl 5-ethoxy-2-(2-methylprop-2-enoxy)benzoate.

Molecular Properties

Compound Namemethyl 5-ethoxy-2-(2-methylprop-2-enoxy)benzoate
PubChem CID58566599
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Namemethyl 5-ethoxy-2-(2-methylprop-2-enoxy)benzoate
SMILESC=C(C)COc1ccc(OCC)cc1C(=O)OC
InChIInChI=1S/C14H18O4/c1-5-17-11-6-7-13(18-9-10(2)3)12(8-11)14(15)16-4/h6-8H,2,5,9H2,1,3-4H3
InChIKeyRWTKSUUHCFGZEV-UHFFFAOYSA-N
XLogP2.83
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-amino-2-(2-methylprop-2-enoxy)benzoate
CID 89468662
5-methoxy-2-(2-methylprop-2-enoxy)benzoyl fluoride
CID 177477124
1-(2,5-diethoxyphenyl)ethanone
CID 4075332
methyl 2-ethenyl-5-ethoxybenzoate
CID 45094065
methyl 2-(bromomethyl)-5-ethoxybenzoate
CID 86723822
5-bromo-2-ethoxy-N-[[4-(2-methylprop-2-enoxy)phenyl]carbamothioyl]benzamide
CID 17097836
methyl (Z)-5-(2,5-diethoxyphenyl)-5-hydroxy-3-oxopent-4-enoate
CID 42612201
3-ethoxy-4-(2-methylprop-2-enoxy)benzaldehyde
CID 22343686
methyl 4-fluoro-3-(2-methylprop-2-enoxy)benzoate
CID 58566490
5-bromo-2-(2-methylprop-2-enoxy)benzoic acid
CID 103604045
5-ethoxy-2-(2,2,2-trifluoroethoxy)benzoic acid
CID 23035342
diethyl 2-[1-(2,5-diethoxyphenyl)ethylidene]propanedioate
CID 54192722

Frequently Asked Questions

What is the IUPAC name of methyl 5-ethoxy-2-(2-methylprop-2-enoxy)benzoate?
The IUPAC name of methyl 5-ethoxy-2-(2-methylprop-2-enoxy)benzoate (CID 58566599) is methyl 5-ethoxy-2-(2-methylprop-2-enoxy)benzoate.
What is the SMILES notation for methyl 5-ethoxy-2-(2-methylprop-2-enoxy)benzoate?
The canonical SMILES for methyl 5-ethoxy-2-(2-methylprop-2-enoxy)benzoate is C=C(C)COc1ccc(OCC)cc1C(=O)OC.
What is the InChIKey of methyl 5-ethoxy-2-(2-methylprop-2-enoxy)benzoate?
The InChIKey is RWTKSUUHCFGZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-5-17-11-6-7-13(18-9-10(2)3)12(8-11)14(15)16-4/h6-8H,2,5,9H2,1,3-4H3.
What are the key properties of methyl 5-ethoxy-2-(2-methylprop-2-enoxy)benzoate?
methyl 5-ethoxy-2-(2-methylprop-2-enoxy)benzoate has a molecular weight of 250.29 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethoxy-2-(2-methylprop-2-enoxy)benzoate is sourced from PubChem (CID 58566599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).