ethyl 2-(7-acetyloxy-2,3-dihydro-1-benzofuran-5-yl)acetate

C14H16O5 — CID 58847566

IUPACethyl 2-(7-acetyloxy-2,3-dihydro-1-benzofuran-5-yl)acetate
SMILESCCOC(=O)Cc1cc2c(c(OC(C)=O)c1)OCC2
InChIInChI=1S/C14H16O5/c1-3-17-13(16)8-10-6-11-4-5-18-14(11)12(7-10)19-9(2)15/h6-7H,3-5,8H2,1-2H3
InChIKeyNFTRFOPGNVBCKY-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.65
Rot. Bonds4

About ethyl 2-(7-acetyloxy-2,3-dihydro-1-benzofuran-5-yl)acetate

ethyl 2-(7-acetyloxy-2,3-dihydro-1-benzofuran-5-yl)acetate (PubChem CID 58847566) has the molecular formula C14H16O5 and a molecular weight of 264.28 g/mol. Its IUPAC name is ethyl 2-(7-acetyloxy-2,3-dihydro-1-benzofuran-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(7-acetyloxy-2,3-dihydro-1-benzofuran-5-yl)acetate
PubChem CID58847566
Molecular FormulaC14H16O5
Molecular Weight264.28 g/mol
Exact Mass264.10
IUPAC Nameethyl 2-(7-acetyloxy-2,3-dihydro-1-benzofuran-5-yl)acetate
SMILESCCOC(=O)Cc1cc2c(c(OC(C)=O)c1)OCC2
InChIInChI=1S/C14H16O5/c1-3-17-13(16)8-10-6-11-4-5-18-14(11)12(7-10)19-9(2)15/h6-7H,3-5,8H2,1-2H3
InChIKeyNFTRFOPGNVBCKY-UHFFFAOYSA-N
XLogP1.65
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 2-(7-acetyloxy-2,3-dihydro-1-benzofuran-5-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(7-methoxy-2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 117297220
ethyl 2-(2,3-dihydro-1-benzofuran-7-yl)acetate
CID 114746699
ethyl 2-(3,4-dihydro-2H-chromen-7-yl)acetate
CID 105475566
5-ethyl-7-methoxy-2,3-dihydro-1-benzofuran
CID 170265985
ethyl 2-(5,6-dihydrobenzo[b][1]benzoxepin-3-yl)acetate
CID 13134780
ethyl 5-(2,3-dihydro-1-benzofuran-7-yl)-4-oxopentanoate
CID 114746816
ethyl 4-(2,3-dihydro-1-benzofuran-5-yl)but-3-enoate
CID 170796261
ethyl 2-(3,4-dihydro-2H-thiochromen-6-yl)acetate
CID 116932100
ethyl 2-(7-bromo-9,10-dihydrophenanthren-2-yl)acetate
CID 71265392
ethyl 2-(4-amino-3-chloro-5-methoxyphenyl)acetate
CID 121224675
ethyl 3-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-2-hydroxypropanoate
CID 113403461
ethyl 4-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methylamino]-3-hydroxybutanoate
CID 103265091

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(7-acetyloxy-2,3-dihydro-1-benzofuran-5-yl)acetate?
The IUPAC name of ethyl 2-(7-acetyloxy-2,3-dihydro-1-benzofuran-5-yl)acetate (CID 58847566) is ethyl 2-(7-acetyloxy-2,3-dihydro-1-benzofuran-5-yl)acetate.
What is the SMILES notation for ethyl 2-(7-acetyloxy-2,3-dihydro-1-benzofuran-5-yl)acetate?
The canonical SMILES for ethyl 2-(7-acetyloxy-2,3-dihydro-1-benzofuran-5-yl)acetate is CCOC(=O)Cc1cc2c(c(OC(C)=O)c1)OCC2.
What is the InChIKey of ethyl 2-(7-acetyloxy-2,3-dihydro-1-benzofuran-5-yl)acetate?
The InChIKey is NFTRFOPGNVBCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O5/c1-3-17-13(16)8-10-6-11-4-5-18-14(11)12(7-10)19-9(2)15/h6-7H,3-5,8H2,1-2H3.
What are the key properties of ethyl 2-(7-acetyloxy-2,3-dihydro-1-benzofuran-5-yl)acetate?
ethyl 2-(7-acetyloxy-2,3-dihydro-1-benzofuran-5-yl)acetate has a molecular weight of 264.28 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(7-acetyloxy-2,3-dihydro-1-benzofuran-5-yl)acetate is sourced from PubChem (CID 58847566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).