ethyl 5-(2,3,4-trimethoxyphenyl)pentanoate

C16H24O5 — CID 144536169

IUPACethyl 5-(2,3,4-trimethoxyphenyl)pentanoate
SMILESCCOC(=O)CCCCc1ccc(OC)c(OC)c1OC
InChIInChI=1S/C16H24O5/c1-5-21-14(17)9-7-6-8-12-10-11-13(18-2)16(20-4)15(12)19-3/h10-11H,5-9H2,1-4H3
InChIKeyRSCVOQFTJRUHNO-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.99
Rot. Bonds9

About ethyl 5-(2,3,4-trimethoxyphenyl)pentanoate

ethyl 5-(2,3,4-trimethoxyphenyl)pentanoate (PubChem CID 144536169) has the molecular formula C16H24O5 and a molecular weight of 296.36 g/mol. Its IUPAC name is ethyl 5-(2,3,4-trimethoxyphenyl)pentanoate.

Molecular Properties

Compound Nameethyl 5-(2,3,4-trimethoxyphenyl)pentanoate
PubChem CID144536169
Molecular FormulaC16H24O5
Molecular Weight296.36 g/mol
Exact Mass296.16
IUPAC Nameethyl 5-(2,3,4-trimethoxyphenyl)pentanoate
SMILESCCOC(=O)CCCCc1ccc(OC)c(OC)c1OC
InChIInChI=1S/C16H24O5/c1-5-21-14(17)9-7-6-8-12-10-11-13(18-2)16(20-4)15(12)19-3/h10-11H,5-9H2,1-4H3
InChIKeyRSCVOQFTJRUHNO-UHFFFAOYSA-N
XLogP2.99
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 5-(3,4-dimethoxyphenyl)pentanoate
CID 15833333
ethyl 5-(2-methoxyphenyl)pentanoate;5-(2-methoxyphenyl)pentanoic acid
CID 161019500
methyl 4-(3,4-dimethoxy-2-methylphenyl)butanoate
CID 15428438
3-(2,3,4-trimethoxyphenyl)propan-1-ol
CID 11790895
ethyl 4-(2-amino-4-methoxy-2,3-dihydro-1H-inden-5-yl)butanoate
CID 166125748
ethane;ethyl 2-(2,3,4-trimethoxyphenoxy)acetate
CID 144536056
methyl 4-(4-methoxy-2,3-dimethylphenyl)butanoate
CID 98784005
methyl 4-(2-fluoro-3,4-dimethoxyphenyl)butanoate
CID 58147667
ethyl 5-(2,3,4-trifluorophenyl)pentanoate
CID 67632318
ethyl 5-(2-ethoxyphenyl)pentanoate
CID 118039876
3-(2,3,4-trimethoxyphenyl)propyl 2-methylprop-2-enoate
CID 175430162
bis[2-[4-methyl-3-[(2,3,4-trimethoxyphenyl)methyl]-1,3-thiazol-3-ium-5-yl]ethyl] hexanedioate dibromide
CID 10260204

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2,3,4-trimethoxyphenyl)pentanoate?
The IUPAC name of ethyl 5-(2,3,4-trimethoxyphenyl)pentanoate (CID 144536169) is ethyl 5-(2,3,4-trimethoxyphenyl)pentanoate.
What is the SMILES notation for ethyl 5-(2,3,4-trimethoxyphenyl)pentanoate?
The canonical SMILES for ethyl 5-(2,3,4-trimethoxyphenyl)pentanoate is CCOC(=O)CCCCc1ccc(OC)c(OC)c1OC.
What is the InChIKey of ethyl 5-(2,3,4-trimethoxyphenyl)pentanoate?
The InChIKey is RSCVOQFTJRUHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O5/c1-5-21-14(17)9-7-6-8-12-10-11-13(18-2)16(20-4)15(12)19-3/h10-11H,5-9H2,1-4H3.
What are the key properties of ethyl 5-(2,3,4-trimethoxyphenyl)pentanoate?
ethyl 5-(2,3,4-trimethoxyphenyl)pentanoate has a molecular weight of 296.36 g/mol, XLogP of 2.99, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2,3,4-trimethoxyphenyl)pentanoate is sourced from PubChem (CID 144536169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).