ethyl 3-(3-ethyl-4-methoxyphenyl)-2-methylpropanoate

C15H22O3 — CID 58566780

IUPACethyl 3-(3-ethyl-4-methoxyphenyl)-2-methylpropanoate
SMILESCCOC(=O)C(C)Cc1ccc(OC)c(CC)c1
InChIInChI=1S/C15H22O3/c1-5-13-10-12(7-8-14(13)17-4)9-11(3)15(16)18-6-2/h7-8,10-11H,5-6,9H2,1-4H3
InChIKeyKQIYBIQNZZDQEP-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.00
Rot. Bonds6

About ethyl 3-(3-ethyl-4-methoxyphenyl)-2-methylpropanoate

ethyl 3-(3-ethyl-4-methoxyphenyl)-2-methylpropanoate (PubChem CID 58566780) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is ethyl 3-(3-ethyl-4-methoxyphenyl)-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 3-(3-ethyl-4-methoxyphenyl)-2-methylpropanoate
PubChem CID58566780
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Nameethyl 3-(3-ethyl-4-methoxyphenyl)-2-methylpropanoate
SMILESCCOC(=O)C(C)Cc1ccc(OC)c(CC)c1
InChIInChI=1S/C15H22O3/c1-5-13-10-12(7-8-14(13)17-4)9-11(3)15(16)18-6-2/h7-8,10-11H,5-6,9H2,1-4H3
InChIKeyKQIYBIQNZZDQEP-UHFFFAOYSA-N
XLogP3.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxy-3-propylphenyl)-2-methylpropanoic acid
CID 70957387
ethyl 3-[3-(aminomethyl)-4-methoxyphenyl]-2-propan-2-yloxypropanoate
CID 22493983
ethyl 3-(3-ethyl-4-methoxyphenyl)propanoate
CID 58566699
ethyl 3-(3-fluoro-4-methylphenyl)-2-methylpropanoate
CID 70640795
ethyl (2S)-3-(4-bromophenyl)-2-methylpropanoate
CID 129395857
ethyl 2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetate
CID 116961319
ethyl 3-[4-methoxy-3-[2-[4-(trifluoromethyl)phenyl]ethoxy]phenyl]-2-methylpropanoate
CID 154533761
ethyl 2-methyl-3-[3-(2-methylpropyl)phenyl]propanoate
CID 134600479
diethyl 2-[(3-hydroxy-4-methoxyphenyl)methyl]propanedioate
CID 59114437
ethyl 2-(dimethylamino)-2-(5-ethyl-2-methoxyphenyl)acetate
CID 116914250
1-(3,4-dimethoxyphenyl)-2-methylpentan-3-one
CID 79019340
5-(5-ethyl-2-methoxyphenyl)-4-methylpentan-2-one
CID 83942693

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-ethyl-4-methoxyphenyl)-2-methylpropanoate?
The IUPAC name of ethyl 3-(3-ethyl-4-methoxyphenyl)-2-methylpropanoate (CID 58566780) is ethyl 3-(3-ethyl-4-methoxyphenyl)-2-methylpropanoate.
What is the SMILES notation for ethyl 3-(3-ethyl-4-methoxyphenyl)-2-methylpropanoate?
The canonical SMILES for ethyl 3-(3-ethyl-4-methoxyphenyl)-2-methylpropanoate is CCOC(=O)C(C)Cc1ccc(OC)c(CC)c1.
What is the InChIKey of ethyl 3-(3-ethyl-4-methoxyphenyl)-2-methylpropanoate?
The InChIKey is KQIYBIQNZZDQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-5-13-10-12(7-8-14(13)17-4)9-11(3)15(16)18-6-2/h7-8,10-11H,5-6,9H2,1-4H3.
What are the key properties of ethyl 3-(3-ethyl-4-methoxyphenyl)-2-methylpropanoate?
ethyl 3-(3-ethyl-4-methoxyphenyl)-2-methylpropanoate has a molecular weight of 250.34 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-ethyl-4-methoxyphenyl)-2-methylpropanoate is sourced from PubChem (CID 58566780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).