ethyl 5-(3,4-dimethoxyphenyl)pentanoate

C15H22O4 — CID 15833333

IUPACethyl 5-(3,4-dimethoxyphenyl)pentanoate
SMILESCCOC(=O)CCCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H22O4/c1-4-19-15(16)8-6-5-7-12-9-10-13(17-2)14(11-12)18-3/h9-11H,4-8H2,1-3H3
InChIKeyRIHWSNKEPRRLJQ-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.98
Rot. Bonds8

About ethyl 5-(3,4-dimethoxyphenyl)pentanoate

ethyl 5-(3,4-dimethoxyphenyl)pentanoate (PubChem CID 15833333) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is ethyl 5-(3,4-dimethoxyphenyl)pentanoate.

Molecular Properties

Compound Nameethyl 5-(3,4-dimethoxyphenyl)pentanoate
PubChem CID15833333
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Nameethyl 5-(3,4-dimethoxyphenyl)pentanoate
SMILESCCOC(=O)CCCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H22O4/c1-4-19-15(16)8-6-5-7-12-9-10-13(17-2)14(11-12)18-3/h9-11H,4-8H2,1-3H3
InChIKeyRIHWSNKEPRRLJQ-UHFFFAOYSA-N
XLogP2.98
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(3,4-dimethoxyphenyl)hexanoic acid
CID 4577343
ethyl 10-(4-methoxyphenyl)decanoate
CID 134946560
ethyl 3-[4-[5-(3-hydroxypropyl)-2-methoxyphenoxy]phenyl]propanoate
CID 71497129
ethyl 4-[[N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-methylcarbamimidoyl]amino]butanoate;hydroiodide
CID 111213110
ethyl 5-(3-aminophenyl)pentanoate
CID 11775691
ethyl 3-(3-ethyl-4-methoxyphenyl)propanoate
CID 58566699
ethyl 3-(3-hydroxy-4-methoxyphenyl)propanoate
CID 10867928
ethyl (3R)-3-amino-5-(3,4-dimethoxyphenyl)pentanoate
CID 23533716
ethyl 5-(3,5-dimethoxyphenyl)pentanoate
CID 66889380
ethyl 6-amino-6-(3,4-dimethoxyphenyl)hexanoate
CID 60860322
5-(4-hydroxy-3-methoxyphenyl)pentanamide
CID 66838422
ethyl 5-[3-(2-amino-2-oxoethyl)phenyl]pentanoate
CID 170976296

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(3,4-dimethoxyphenyl)pentanoate?
The IUPAC name of ethyl 5-(3,4-dimethoxyphenyl)pentanoate (CID 15833333) is ethyl 5-(3,4-dimethoxyphenyl)pentanoate.
What is the SMILES notation for ethyl 5-(3,4-dimethoxyphenyl)pentanoate?
The canonical SMILES for ethyl 5-(3,4-dimethoxyphenyl)pentanoate is CCOC(=O)CCCCc1ccc(OC)c(OC)c1.
What is the InChIKey of ethyl 5-(3,4-dimethoxyphenyl)pentanoate?
The InChIKey is RIHWSNKEPRRLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-4-19-15(16)8-6-5-7-12-9-10-13(17-2)14(11-12)18-3/h9-11H,4-8H2,1-3H3.
What are the key properties of ethyl 5-(3,4-dimethoxyphenyl)pentanoate?
ethyl 5-(3,4-dimethoxyphenyl)pentanoate has a molecular weight of 266.34 g/mol, XLogP of 2.98, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(3,4-dimethoxyphenyl)pentanoate is sourced from PubChem (CID 15833333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).