ethyl 3-methoxy-4-pentanoyloxybenzoate

C15H20O5 — CID 91527974

IUPACethyl 3-methoxy-4-pentanoyloxybenzoate
SMILESCCCCC(=O)Oc1ccc(C(=O)OCC)cc1OC
InChIInChI=1S/C15H20O5/c1-4-6-7-14(16)20-12-9-8-11(10-13(12)18-3)15(17)19-5-2/h8-10H,4-7H2,1-3H3
InChIKeyFTIFPJDEALOKFT-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.97
Rot. Bonds7

About ethyl 3-methoxy-4-pentanoyloxybenzoate

ethyl 3-methoxy-4-pentanoyloxybenzoate (PubChem CID 91527974) has the molecular formula C15H20O5 and a molecular weight of 280.32 g/mol. Its IUPAC name is ethyl 3-methoxy-4-pentanoyloxybenzoate.

Molecular Properties

Compound Nameethyl 3-methoxy-4-pentanoyloxybenzoate
PubChem CID91527974
Molecular FormulaC15H20O5
Molecular Weight280.32 g/mol
Exact Mass280.13
IUPAC Nameethyl 3-methoxy-4-pentanoyloxybenzoate
SMILESCCCCC(=O)Oc1ccc(C(=O)OCC)cc1OC
InChIInChI=1S/C15H20O5/c1-4-6-7-14(16)20-12-9-8-11(10-13(12)18-3)15(17)19-5-2/h8-10H,4-7H2,1-3H3
InChIKeyFTIFPJDEALOKFT-UHFFFAOYSA-N
XLogP2.97
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2,4-dimethoxyphenyl) pentanoate
CID 91361677
4-(4-ethoxycarbonyl-2-methoxyphenoxy)-2-methylidene-4-oxobutanoic acid
CID 90778128
(4-ethoxycarbonyl-2-methoxyphenyl) 3,4,5-trimethoxybenzoate
CID 7311951
methyl 4-(4-ethoxy-4-oxobutoxy)-3-methoxybenzoate
CID 164672797
ethyl 4-methoxy-3-(3-octoxy-3-oxopropyl)sulfanylbenzoate
CID 66765112
ethyl 3,4-bis(ethoxycarbonyloxy)benzoate
CID 166550194
propyl 3-methoxy-4-pentoxybenzoate
CID 82186336
propyl 4-ethoxy-3-methoxybenzoate
CID 78907992
ethyl 4-(4-butanoyl-2-methoxyphenoxy)butanoate
CID 68799318
[4-(4-butanoyloxyphenoxy)carbonylphenyl] 3,4-dimethoxybenzoate
CID 144750312
ethyl 3,4-diethoxybenzoate
CID 586407
3-(dimethylamino)propyl 4-ethoxycarbonyloxy-3-methoxybenzoate chloride
CID 53347168

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methoxy-4-pentanoyloxybenzoate?
The IUPAC name of ethyl 3-methoxy-4-pentanoyloxybenzoate (CID 91527974) is ethyl 3-methoxy-4-pentanoyloxybenzoate.
What is the SMILES notation for ethyl 3-methoxy-4-pentanoyloxybenzoate?
The canonical SMILES for ethyl 3-methoxy-4-pentanoyloxybenzoate is CCCCC(=O)Oc1ccc(C(=O)OCC)cc1OC.
What is the InChIKey of ethyl 3-methoxy-4-pentanoyloxybenzoate?
The InChIKey is FTIFPJDEALOKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O5/c1-4-6-7-14(16)20-12-9-8-11(10-13(12)18-3)15(17)19-5-2/h8-10H,4-7H2,1-3H3.
What are the key properties of ethyl 3-methoxy-4-pentanoyloxybenzoate?
ethyl 3-methoxy-4-pentanoyloxybenzoate has a molecular weight of 280.32 g/mol, XLogP of 2.97, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methoxy-4-pentanoyloxybenzoate is sourced from PubChem (CID 91527974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).