ethyl 2-(3,4-dimethylphenyl)pentanoate

C15H22O2 — CID 83043344

IUPACethyl 2-(3,4-dimethylphenyl)pentanoate
SMILESCCCC(C(=O)OCC)c1ccc(C)c(C)c1
InChIInChI=1S/C15H22O2/c1-5-7-14(15(16)17-6-2)13-9-8-11(3)12(4)10-13/h8-10,14H,5-7H2,1-4H3
InChIKeyOECBKXQRKNJNGK-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.75
Rot. Bonds5

About ethyl 2-(3,4-dimethylphenyl)pentanoate

ethyl 2-(3,4-dimethylphenyl)pentanoate (PubChem CID 83043344) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is ethyl 2-(3,4-dimethylphenyl)pentanoate.

Molecular Properties

Compound Nameethyl 2-(3,4-dimethylphenyl)pentanoate
PubChem CID83043344
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Nameethyl 2-(3,4-dimethylphenyl)pentanoate
SMILESCCCC(C(=O)OCC)c1ccc(C)c(C)c1
InChIInChI=1S/C15H22O2/c1-5-7-14(15(16)17-6-2)13-9-8-11(3)12(4)10-13/h8-10,14H,5-7H2,1-4H3
InChIKeyOECBKXQRKNJNGK-UHFFFAOYSA-N
XLogP3.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-(4-propan-2-ylphenyl)pentanoate
CID 83042532
ethyl 2-(3,4-dimethylphenyl)-2-sulfanylacetate
CID 57237748
ethyl 2-(3,4-dimethylphenyl)-2-(propylamino)acetate
CID 60797038
5-butan-2-yloxy-4-(3,4-dimethylphenyl)-5-oxopentanoic acid
CID 70344035
ethyl 2-(3,4-dihydroxyphenyl)butanoate
CID 139641530
ethyl (2R)-2-(4-aminophenyl)hexanoate
CID 124565457
methyl 2-(3-fluoro-4-methoxyphenyl)pentanoate
CID 112508521
ethyl 2-(3,4-dimethylphenyl)-2-(prop-2-enylamino)acetate
CID 62352914
methyl 2-(3-chloro-4-methylphenyl)hexanoate
CID 107560881
ethyl 2-[1-(3,4-dimethylphenyl)ethyl]-2-hydroxypentanoate
CID 83050862
2-[1-(3,4-dimethylphenyl)-2-ethoxy-2-oxoethyl]sulfanylbutanoic acid
CID 19981878
2-(3,4-dimethylphenyl)hexan-3-amine
CID 83047483

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,4-dimethylphenyl)pentanoate?
The IUPAC name of ethyl 2-(3,4-dimethylphenyl)pentanoate (CID 83043344) is ethyl 2-(3,4-dimethylphenyl)pentanoate.
What is the SMILES notation for ethyl 2-(3,4-dimethylphenyl)pentanoate?
The canonical SMILES for ethyl 2-(3,4-dimethylphenyl)pentanoate is CCCC(C(=O)OCC)c1ccc(C)c(C)c1.
What is the InChIKey of ethyl 2-(3,4-dimethylphenyl)pentanoate?
The InChIKey is OECBKXQRKNJNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-5-7-14(15(16)17-6-2)13-9-8-11(3)12(4)10-13/h8-10,14H,5-7H2,1-4H3.
What are the key properties of ethyl 2-(3,4-dimethylphenyl)pentanoate?
ethyl 2-(3,4-dimethylphenyl)pentanoate has a molecular weight of 234.34 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,4-dimethylphenyl)pentanoate is sourced from PubChem (CID 83043344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).