ethyl propanoate;2-(4-methylphenyl)ethyl propanoate

C17H26O4 — CID 156540203

IUPACethyl propanoate;2-(4-methylphenyl)ethyl propanoate
SMILESCCC(=O)OCCc1ccc(C)cc1.CCOC(=O)CC
InChIInChI=1S/C12H16O2.C5H10O2/c1-3-12(13)14-9-8-11-6-4-10(2)5-7-11;1-3-5(6)7-4-2/h4-7H,3,8-9H2,1-2H3;3-4H2,1-2H3
InChIKeySRYQOIUDOFMWDY-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.45
Rot. Bonds6

About ethyl propanoate;2-(4-methylphenyl)ethyl propanoate

ethyl propanoate;2-(4-methylphenyl)ethyl propanoate (PubChem CID 156540203) has the molecular formula C17H26O4 and a molecular weight of 294.39 g/mol. Its IUPAC name is ethyl propanoate;2-(4-methylphenyl)ethyl propanoate.

Molecular Properties

Compound Nameethyl propanoate;2-(4-methylphenyl)ethyl propanoate
PubChem CID156540203
Molecular FormulaC17H26O4
Molecular Weight294.39 g/mol
Exact Mass294.18
IUPAC Nameethyl propanoate;2-(4-methylphenyl)ethyl propanoate
SMILESCCC(=O)OCCc1ccc(C)cc1.CCOC(=O)CC
InChIInChI=1S/C12H16O2.C5H10O2/c1-3-12(13)14-9-8-11-6-4-10(2)5-7-11;1-3-5(6)7-4-2/h4-7H,3,8-9H2,1-2H3;3-4H2,1-2H3
InChIKeySRYQOIUDOFMWDY-UHFFFAOYSA-N
XLogP3.45
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl propanoate;2-(4-methylphenyl)ethyl propanoate 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

6-[4-(4-methylphenyl)phenyl]hexyl propanoate
CID 101128316
ethyl 4-(4-methylphenyl)butanoate
CID 10013221
2-(4-methylphenyl)ethyl 3-(4-hydroxyphenyl)propanoate
CID 58446609
1-O-ethyl 4-O-[2-(4-methylphenyl)ethyl] piperazine-1,4-dicarboxylate
CID 6735988
4-methylphenol;propyl propanoate
CID 174290139
6-[4-[(E)-1-(4-methylphenyl)prop-1-en-2-yl]phenyl]hexyl propanoate
CID 177477385
ethyl 3,3-dimethyl-5-(4-methylphenyl)pentanoate
CID 158053687
1-O-ethyl 4-O-[(4-methylphenyl)methyl] butanedioate
CID 91703852
2-ethoxycarbonyloxyethyl ethyl carbonate;1,4-xylene
CID 20503523
1-methyl-4-(2-prop-1-en-2-yloxyethyl)benzene
CID 131977885
2-[3-[2-(4-methylphenyl)ethylsulfanyl]propanoyloxy]ethyl 3-[2-(4-methylphenyl)ethylsulfanyl]propanoate
CID 144937728
alumane;ethyl propanoate
CID 174257559

Frequently Asked Questions

What is the IUPAC name of ethyl propanoate;2-(4-methylphenyl)ethyl propanoate?
The IUPAC name of ethyl propanoate;2-(4-methylphenyl)ethyl propanoate (CID 156540203) is ethyl propanoate;2-(4-methylphenyl)ethyl propanoate.
What is the SMILES notation for ethyl propanoate;2-(4-methylphenyl)ethyl propanoate?
The canonical SMILES for ethyl propanoate;2-(4-methylphenyl)ethyl propanoate is CCC(=O)OCCc1ccc(C)cc1.CCOC(=O)CC.
What is the InChIKey of ethyl propanoate;2-(4-methylphenyl)ethyl propanoate?
The InChIKey is SRYQOIUDOFMWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2.C5H10O2/c1-3-12(13)14-9-8-11-6-4-10(2)5-7-11;1-3-5(6)7-4-2/h4-7H,3,8-9H2,1-2H3;3-4H2,1-2H3.
What are the key properties of ethyl propanoate;2-(4-methylphenyl)ethyl propanoate?
ethyl propanoate;2-(4-methylphenyl)ethyl propanoate has a molecular weight of 294.39 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl propanoate;2-(4-methylphenyl)ethyl propanoate is sourced from PubChem (CID 156540203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).