ethyl 2-(4-butoxy-3-methylphenyl)acetate

C15H22O3 — CID 154174708

IUPACethyl 2-(4-butoxy-3-methylphenyl)acetate
SMILESCCCCOc1ccc(CC(=O)OCC)cc1C
InChIInChI=1S/C15H22O3/c1-4-6-9-18-14-8-7-13(10-12(14)3)11-15(16)17-5-2/h7-8,10H,4-6,9,11H2,1-3H3
InChIKeyAAQWPEAOGARMIU-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.28
Rot. Bonds7

About ethyl 2-(4-butoxy-3-methylphenyl)acetate

ethyl 2-(4-butoxy-3-methylphenyl)acetate (PubChem CID 154174708) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is ethyl 2-(4-butoxy-3-methylphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-butoxy-3-methylphenyl)acetate
PubChem CID154174708
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Nameethyl 2-(4-butoxy-3-methylphenyl)acetate
SMILESCCCCOc1ccc(CC(=O)OCC)cc1C
InChIInChI=1S/C15H22O3/c1-4-6-9-18-14-8-7-13(10-12(14)3)11-15(16)17-5-2/h7-8,10H,4-6,9,11H2,1-3H3
InChIKeyAAQWPEAOGARMIU-UHFFFAOYSA-N
XLogP3.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[4-methoxy-3-[3-(methylamino)propoxy]phenyl]acetate
CID 58870370
ethyl 2-(4-hexoxyphenyl)acetate
CID 19797927
ethyl 2-(2-methyl-4-propylphenoxy)acetate
CID 134426346
ethyl 2-[4-(4-bromobutoxy)-3-chlorophenyl]acetate
CID 139659897
ethyl 2-(3-methyl-4-sulfanylphenyl)acetate
CID 123806399
ethyl 2-[4-(butylaminomethyl)-2-methylphenoxy]acetate
CID 58622846
ethyl 2-(4-butoxy-3,5-difluorophenyl)acetate
CID 70827899
ethyl 2-[4-(3-aminopropoxy)phenyl]acetate
CID 162639938
ethyl 2-(3-methyl-4-propanoylphenyl)acetate
CID 134633131
1-(4-butoxy-3-ethoxyphenyl)butan-2-one
CID 82160747
methyl 2-(3,4-dioctoxyphenyl)acetate
CID 22938281
ethyl 4-(4-chloro-2-methylphenoxy)butanoate
CID 25286

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-butoxy-3-methylphenyl)acetate?
The IUPAC name of ethyl 2-(4-butoxy-3-methylphenyl)acetate (CID 154174708) is ethyl 2-(4-butoxy-3-methylphenyl)acetate.
What is the SMILES notation for ethyl 2-(4-butoxy-3-methylphenyl)acetate?
The canonical SMILES for ethyl 2-(4-butoxy-3-methylphenyl)acetate is CCCCOc1ccc(CC(=O)OCC)cc1C.
What is the InChIKey of ethyl 2-(4-butoxy-3-methylphenyl)acetate?
The InChIKey is AAQWPEAOGARMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-4-6-9-18-14-8-7-13(10-12(14)3)11-15(16)17-5-2/h7-8,10H,4-6,9,11H2,1-3H3.
What are the key properties of ethyl 2-(4-butoxy-3-methylphenyl)acetate?
ethyl 2-(4-butoxy-3-methylphenyl)acetate has a molecular weight of 250.34 g/mol, XLogP of 3.28, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-butoxy-3-methylphenyl)acetate is sourced from PubChem (CID 154174708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).