ethyl 4-(4-ethoxy-2,5-dimethylphenyl)butanoate

C16H24O3 — CID 82350381

IUPACethyl 4-(4-ethoxy-2,5-dimethylphenyl)butanoate
SMILESCCOC(=O)CCCc1cc(C)c(OCC)cc1C
InChIInChI=1S/C16H24O3/c1-5-18-15-11-12(3)14(10-13(15)4)8-7-9-16(17)19-6-2/h10-11H,5-9H2,1-4H3
InChIKeyYPWAFMDONOKTQZ-UHFFFAOYSA-N
MW264.36 g/mol
LogP3.59
Rot. Bonds7

About ethyl 4-(4-ethoxy-2,5-dimethylphenyl)butanoate

ethyl 4-(4-ethoxy-2,5-dimethylphenyl)butanoate (PubChem CID 82350381) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is ethyl 4-(4-ethoxy-2,5-dimethylphenyl)butanoate.

Molecular Properties

Compound Nameethyl 4-(4-ethoxy-2,5-dimethylphenyl)butanoate
PubChem CID82350381
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Nameethyl 4-(4-ethoxy-2,5-dimethylphenyl)butanoate
SMILESCCOC(=O)CCCc1cc(C)c(OCC)cc1C
InChIInChI=1S/C16H24O3/c1-5-18-15-11-12(3)14(10-13(15)4)8-7-9-16(17)19-6-2/h10-11H,5-9H2,1-4H3
InChIKeyYPWAFMDONOKTQZ-UHFFFAOYSA-N
XLogP3.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2,5-dimethyl-4-propylphenoxy)acetate
CID 143220496
1-ethoxy-4-ethyl-2,5-dimethylbenzene
CID 84761080
ethyl 5-(2-ethoxyphenyl)pentanoate
CID 118039876
ethyl 4-(4-chlorooxy-2-methylphenyl)butanoate
CID 174385109
5-(4-ethoxy-2,5-dimethylphenyl)pentanenitrile
CID 98014651
ethyl 3-(4-hydroxy-2,5-dimethylphenyl)propanoate
CID 58566683
ethyl N-[(4-ethoxy-2,5-dimethylphenyl)methyl]carbamate
CID 110780864
ethyl 3-(4-chloro-2,5-dimethylphenyl)propanoate
CID 91605979
1-ethoxy-2,5-dimethyl-4-[(Z)-pent-3-enyl]benzene
CID 83940881
[4-(3-bromopropyl)-2,5-dimethylphenyl] 3-bromopropanoate
CID 144542201
methyl 3-amino-4-(4-ethoxy-2,5-dimethylphenyl)butanoate
CID 82351673
2-(2,5-diethoxy-4-methylphenyl)acetic acid
CID 4286018

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-ethoxy-2,5-dimethylphenyl)butanoate?
The IUPAC name of ethyl 4-(4-ethoxy-2,5-dimethylphenyl)butanoate (CID 82350381) is ethyl 4-(4-ethoxy-2,5-dimethylphenyl)butanoate.
What is the SMILES notation for ethyl 4-(4-ethoxy-2,5-dimethylphenyl)butanoate?
The canonical SMILES for ethyl 4-(4-ethoxy-2,5-dimethylphenyl)butanoate is CCOC(=O)CCCc1cc(C)c(OCC)cc1C.
What is the InChIKey of ethyl 4-(4-ethoxy-2,5-dimethylphenyl)butanoate?
The InChIKey is YPWAFMDONOKTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-5-18-15-11-12(3)14(10-13(15)4)8-7-9-16(17)19-6-2/h10-11H,5-9H2,1-4H3.
What are the key properties of ethyl 4-(4-ethoxy-2,5-dimethylphenyl)butanoate?
ethyl 4-(4-ethoxy-2,5-dimethylphenyl)butanoate has a molecular weight of 264.36 g/mol, XLogP of 3.59, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-ethoxy-2,5-dimethylphenyl)butanoate is sourced from PubChem (CID 82350381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).