methyl 2-(4-propylphenyl)propanoate

C13H18O2 — CID 62801402

IUPACmethyl 2-(4-propylphenyl)propanoate
SMILESCCCc1ccc(C(C)C(=O)OC)cc1
InChIInChI=1S/C13H18O2/c1-4-5-11-6-8-12(9-7-11)10(2)13(14)15-3/h6-10H,4-5H2,1-3H3
InChIKeyNNIIUFMUTVQBIK-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.92
Rot. Bonds4

About methyl 2-(4-propylphenyl)propanoate

methyl 2-(4-propylphenyl)propanoate (PubChem CID 62801402) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is methyl 2-(4-propylphenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-(4-propylphenyl)propanoate
PubChem CID62801402
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Namemethyl 2-(4-propylphenyl)propanoate
SMILESCCCc1ccc(C(C)C(=O)OC)cc1
InChIInChI=1S/C13H18O2/c1-4-5-11-6-8-12(9-7-11)10(2)13(14)15-3/h6-10H,4-5H2,1-3H3
InChIKeyNNIIUFMUTVQBIK-UHFFFAOYSA-N
XLogP2.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2R)-2-[4-(4-hydroxybutyl)phenyl]propanoate
CID 129363390
methyl 2-hydroxy-3-(4-propylphenyl)butanoate
CID 66287752
methyl 2-bromo-2-(4-propylphenyl)acetate
CID 87953523
methyl 2-[4-(propylaminomethyl)phenyl]propanoate
CID 143449140
methyl (2S)-2-[4-(4-iodobutyl)phenyl]propanoate
CID 129385998
methyl 2-[4-(iodomethyl)phenyl]propanoate
CID 142631167
2-(4-propylphenyl)propanoic acid
CID 14880971
methyl 2-[4-(2-hydroxy-2-methylpropyl)phenyl]propanoate
CID 25020809
methyl 2-(2-methoxy-5-propylphenyl)propanoate
CID 105497841
methyl 2-amino-4-(4-propylphenyl)butanoate
CID 116851455
methyl 2-(4-ethoxyphenyl)propanoate
CID 62394502
methyl 2-(4-aminophenyl)propanoate
CID 3016109

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-propylphenyl)propanoate?
The IUPAC name of methyl 2-(4-propylphenyl)propanoate (CID 62801402) is methyl 2-(4-propylphenyl)propanoate.
What is the SMILES notation for methyl 2-(4-propylphenyl)propanoate?
The canonical SMILES for methyl 2-(4-propylphenyl)propanoate is CCCc1ccc(C(C)C(=O)OC)cc1.
What is the InChIKey of methyl 2-(4-propylphenyl)propanoate?
The InChIKey is NNIIUFMUTVQBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-4-5-11-6-8-12(9-7-11)10(2)13(14)15-3/h6-10H,4-5H2,1-3H3.
What are the key properties of methyl 2-(4-propylphenyl)propanoate?
methyl 2-(4-propylphenyl)propanoate has a molecular weight of 206.28 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-propylphenyl)propanoate is sourced from PubChem (CID 62801402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).