methyl 2-[2-(4-methylphenyl)prop-1-enoxy]propanoate

C14H18O3 — CID 167437986

IUPACmethyl 2-[2-(4-methylphenyl)prop-1-enoxy]propanoate
SMILESCOC(=O)C(C)OC=C(C)c1ccc(C)cc1
InChIInChI=1S/C14H18O3/c1-10-5-7-13(8-6-10)11(2)9-17-12(3)14(15)16-4/h5-9,12H,1-4H3
InChIKeyBUJCQOJJDFSYAJ-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.93
Rot. Bonds4

About methyl 2-[2-(4-methylphenyl)prop-1-enoxy]propanoate

methyl 2-[2-(4-methylphenyl)prop-1-enoxy]propanoate (PubChem CID 167437986) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is methyl 2-[2-(4-methylphenyl)prop-1-enoxy]propanoate.

Molecular Properties

Compound Namemethyl 2-[2-(4-methylphenyl)prop-1-enoxy]propanoate
PubChem CID167437986
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Namemethyl 2-[2-(4-methylphenyl)prop-1-enoxy]propanoate
SMILESCOC(=O)C(C)OC=C(C)c1ccc(C)cc1
InChIInChI=1S/C14H18O3/c1-10-5-7-13(8-6-10)11(2)9-17-12(3)14(15)16-4/h5-9,12H,1-4H3
InChIKeyBUJCQOJJDFSYAJ-UHFFFAOYSA-N
XLogP2.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-methoxyphenyl)prop-1-enoxy]propanoic acid
CID 175395056
2-phenylethyl 2-[2-(4-methoxyphenyl)prop-1-enoxy]propanoate
CID 167437972
methyl 2-[(4-methylbenzoyl)amino]propanoate
CID 531439
hex-3-enyl 2-(2-phenylprop-1-enoxy)propanoate
CID 167438006
methyl 4-methylbenzoate
CID 91113291
methyl 4-methylbenzoate
CID 7455
(Z)-1,3-bis(4-methylphenyl)but-2-en-1-one
CID 98548443
1-but-2-en-2-yl-4-methylbenzene
CID 12583115
1-[(Z)-but-2-en-2-yl]-4-methylbenzene
CID 58843251
dimethyl 2-[1-(4-methylphenyl)ethyl]propanedioate
CID 141073428
methyl (2S)-2-(4-methylanilino)propanoate
CID 6940435
[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-acetamidobenzoate
CID 882656

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(4-methylphenyl)prop-1-enoxy]propanoate?
The IUPAC name of methyl 2-[2-(4-methylphenyl)prop-1-enoxy]propanoate (CID 167437986) is methyl 2-[2-(4-methylphenyl)prop-1-enoxy]propanoate.
What is the SMILES notation for methyl 2-[2-(4-methylphenyl)prop-1-enoxy]propanoate?
The canonical SMILES for methyl 2-[2-(4-methylphenyl)prop-1-enoxy]propanoate is COC(=O)C(C)OC=C(C)c1ccc(C)cc1.
What is the InChIKey of methyl 2-[2-(4-methylphenyl)prop-1-enoxy]propanoate?
The InChIKey is BUJCQOJJDFSYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-10-5-7-13(8-6-10)11(2)9-17-12(3)14(15)16-4/h5-9,12H,1-4H3.
What are the key properties of methyl 2-[2-(4-methylphenyl)prop-1-enoxy]propanoate?
methyl 2-[2-(4-methylphenyl)prop-1-enoxy]propanoate has a molecular weight of 234.29 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(4-methylphenyl)prop-1-enoxy]propanoate is sourced from PubChem (CID 167437986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).