2-[(4-methylphenyl)methoxy]propyl 2-methylprop-2-enoate

C15H20O3 — CID 59933632

IUPAC2-[(4-methylphenyl)methoxy]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)OCc1ccc(C)cc1
InChIInChI=1S/C15H20O3/c1-11(2)15(16)18-9-13(4)17-10-14-7-5-12(3)6-8-14/h5-8,13H,1,9-10H2,2-4H3
InChIKeyLACRBKOPWOCOHD-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.02
Rot. Bonds6

About 2-[(4-methylphenyl)methoxy]propyl 2-methylprop-2-enoate

2-[(4-methylphenyl)methoxy]propyl 2-methylprop-2-enoate (PubChem CID 59933632) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methoxy]propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[(4-methylphenyl)methoxy]propyl 2-methylprop-2-enoate
PubChem CID59933632
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name2-[(4-methylphenyl)methoxy]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)OCc1ccc(C)cc1
InChIInChI=1S/C15H20O3/c1-11(2)15(16)18-9-13(4)17-10-14-7-5-12(3)6-8-14/h5-8,13H,1,9-10H2,2-4H3
InChIKeyLACRBKOPWOCOHD-UHFFFAOYSA-N
XLogP3.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(4-methylphenyl)methoxy]propyl 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-hydroxy-2-(4-methylphenyl)ethyl] 2-methylprop-2-enoate
CID 70388302
2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl 2-methylprop-2-enoate
CID 18762108
2-[(4-acetamidophenyl)methoxy]propyl 2-methylprop-2-enoate;2-[(4-chlorophenyl)methoxy]propyl 2-methylprop-2-enoate;2-[(4-methoxyphenyl)methoxy]propyl 2-methylprop-2-enoate;2-[(4-methylphenyl)methoxy]propyl 2-methylprop-2-enoate;2-phenylmethoxypropyl 2-methylprop-2-enoate;2-[(2,4,6-trichlorophenyl)methoxy]propyl 2-methylprop-2-enoate;2-[[4-(trifluoromethyl)phenyl]methoxy]propyl 2-methylprop-2-enoate
CID 159787273
2-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]propyl 2-methylprop-2-enoate
CID 166789153
[2-methoxy-3-(4-methylphenoxy)propyl] 2-methylprop-2-enoate
CID 59609170
bis(ethane-1,2-diol);ethene;2-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate
CID 173326702
[4-(4-bromophenyl)phenyl]methyl 2-methylprop-2-enoate
CID 140797428
CID 166515106
CID 166515106
2,2,2-trifluoroethyl 2-methylprop-2-enoate;1,4-xylene
CID 67852922
[4-(2-hydroxyethyl)phenyl]methyl 2-methylprop-2-enoate
CID 139641232
1-[1-[1-[1-(2-methylprop-2-enoyloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl 2-bromo-2-methylpropanoate
CID 58040730
(4-methylphenyl)methyl (2S)-2,3-dimethylbutanoate
CID 59174150

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methoxy]propyl 2-methylprop-2-enoate?
The IUPAC name of 2-[(4-methylphenyl)methoxy]propyl 2-methylprop-2-enoate (CID 59933632) is 2-[(4-methylphenyl)methoxy]propyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[(4-methylphenyl)methoxy]propyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[(4-methylphenyl)methoxy]propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC(C)OCc1ccc(C)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methoxy]propyl 2-methylprop-2-enoate?
The InChIKey is LACRBKOPWOCOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-11(2)15(16)18-9-13(4)17-10-14-7-5-12(3)6-8-14/h5-8,13H,1,9-10H2,2-4H3.
What are the key properties of 2-[(4-methylphenyl)methoxy]propyl 2-methylprop-2-enoate?
2-[(4-methylphenyl)methoxy]propyl 2-methylprop-2-enoate has a molecular weight of 248.32 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methoxy]propyl 2-methylprop-2-enoate is sourced from PubChem (CID 59933632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).