ethyl 5-(2,3-dihydro-1-benzofuran-7-yl)-4-oxopentanoate

C15H18O4 — CID 114746816

IUPACethyl 5-(2,3-dihydro-1-benzofuran-7-yl)-4-oxopentanoate
SMILESCCOC(=O)CCC(=O)Cc1cccc2c1OCC2
InChIInChI=1S/C15H18O4/c1-2-18-14(17)7-6-13(16)10-12-5-3-4-11-8-9-19-15(11)12/h3-5H,2,6-10H2,1H3
InChIKeyTZVKYGSCXQSOTE-UHFFFAOYSA-N
MW262.30 g/mol
LogP2.08
Rot. Bonds6

About ethyl 5-(2,3-dihydro-1-benzofuran-7-yl)-4-oxopentanoate

ethyl 5-(2,3-dihydro-1-benzofuran-7-yl)-4-oxopentanoate (PubChem CID 114746816) has the molecular formula C15H18O4 and a molecular weight of 262.30 g/mol. Its IUPAC name is ethyl 5-(2,3-dihydro-1-benzofuran-7-yl)-4-oxopentanoate.

Molecular Properties

Compound Nameethyl 5-(2,3-dihydro-1-benzofuran-7-yl)-4-oxopentanoate
PubChem CID114746816
Molecular FormulaC15H18O4
Molecular Weight262.30 g/mol
Exact Mass262.12
IUPAC Nameethyl 5-(2,3-dihydro-1-benzofuran-7-yl)-4-oxopentanoate
SMILESCCOC(=O)CCC(=O)Cc1cccc2c1OCC2
InChIInChI=1S/C15H18O4/c1-2-18-14(17)7-6-13(16)10-12-5-3-4-11-8-9-19-15(11)12/h3-5H,2,6-10H2,1H3
InChIKeyTZVKYGSCXQSOTE-UHFFFAOYSA-N
XLogP2.08
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2,3-dihydro-1-benzofuran-7-yl)acetate
CID 114746699
ethyl 2-(2,3-dihydro-1-benzofuran-7-ylmethylamino)-1,3-dihydroindene-2-carboxylate
CID 59314171
2-(2,3-dihydro-1-benzofuran-7-yl)-N'-hydroxyethanimidamide
CID 83878008
3-(2,3-dihydro-1-benzofuran-7-yl)-2,2-dimethylpropanoic acid
CID 117314085
ethyl 6-hydroxy-2,3-dihydro-1-benzofuran-7-carboxylate
CID 174245310
1-(3,4-dihydro-2H-chromen-8-yl)hexan-3-one
CID 114746846
(2R)-4-(2,3-dihydro-1-benzofuran-7-yl)butan-2-amine
CID 131577312
7-(isocyanatomethyl)-2,3-dihydro-1-benzofuran
CID 117277211
ethyl 6-(2-methylphenyl)-4-oxohexanoate
CID 63900705
ethyl 5-(2-hydroxy-5-methylphenyl)-4-oxopentanoate
CID 158022977
ethyl 2-(7-acetyloxy-2,3-dihydro-1-benzofuran-5-yl)acetate
CID 58847566
tert-butyl 8-(3-ethoxy-3-oxopropyl)-2,4-dihydro-1,3-benzoxazine-3-carboxylate
CID 170016206

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2,3-dihydro-1-benzofuran-7-yl)-4-oxopentanoate?
The IUPAC name of ethyl 5-(2,3-dihydro-1-benzofuran-7-yl)-4-oxopentanoate (CID 114746816) is ethyl 5-(2,3-dihydro-1-benzofuran-7-yl)-4-oxopentanoate.
What is the SMILES notation for ethyl 5-(2,3-dihydro-1-benzofuran-7-yl)-4-oxopentanoate?
The canonical SMILES for ethyl 5-(2,3-dihydro-1-benzofuran-7-yl)-4-oxopentanoate is CCOC(=O)CCC(=O)Cc1cccc2c1OCC2.
What is the InChIKey of ethyl 5-(2,3-dihydro-1-benzofuran-7-yl)-4-oxopentanoate?
The InChIKey is TZVKYGSCXQSOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4/c1-2-18-14(17)7-6-13(16)10-12-5-3-4-11-8-9-19-15(11)12/h3-5H,2,6-10H2,1H3.
What are the key properties of ethyl 5-(2,3-dihydro-1-benzofuran-7-yl)-4-oxopentanoate?
ethyl 5-(2,3-dihydro-1-benzofuran-7-yl)-4-oxopentanoate has a molecular weight of 262.30 g/mol, XLogP of 2.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2,3-dihydro-1-benzofuran-7-yl)-4-oxopentanoate is sourced from PubChem (CID 114746816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).