ethyl 4-bromo-2,3-dihydro-1-benzofuran-2-carboxylate

C11H11BrO3 — CID 131292077

IUPACethyl 4-bromo-2,3-dihydro-1-benzofuran-2-carboxylate
SMILESCCOC(=O)C1Cc2c(Br)cccc2O1
InChIInChI=1S/C11H11BrO3/c1-2-14-11(13)10-6-7-8(12)4-3-5-9(7)15-10/h3-5,10H,2,6H2,1H3
InChIKeyNNTMXESCUDUAKE-UHFFFAOYSA-N
MW271.11 g/mol
LogP2.32
Rot. Bonds2

About ethyl 4-bromo-2,3-dihydro-1-benzofuran-2-carboxylate

ethyl 4-bromo-2,3-dihydro-1-benzofuran-2-carboxylate (PubChem CID 131292077) has the molecular formula C11H11BrO3 and a molecular weight of 271.11 g/mol. Its IUPAC name is ethyl 4-bromo-2,3-dihydro-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-bromo-2,3-dihydro-1-benzofuran-2-carboxylate
PubChem CID131292077
Molecular FormulaC11H11BrO3
Molecular Weight271.11 g/mol
Exact Mass269.99
IUPAC Nameethyl 4-bromo-2,3-dihydro-1-benzofuran-2-carboxylate
SMILESCCOC(=O)C1Cc2c(Br)cccc2O1
InChIInChI=1S/C11H11BrO3/c1-2-14-11(13)10-6-7-8(12)4-3-5-9(7)15-10/h3-5,10H,2,6H2,1H3
InChIKeyNNTMXESCUDUAKE-UHFFFAOYSA-N
XLogP2.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-bromo-2,3-dihydro-1-benzofuran-2-carboxylate?
The IUPAC name of ethyl 4-bromo-2,3-dihydro-1-benzofuran-2-carboxylate (CID 131292077) is ethyl 4-bromo-2,3-dihydro-1-benzofuran-2-carboxylate.
What is the SMILES notation for ethyl 4-bromo-2,3-dihydro-1-benzofuran-2-carboxylate?
The canonical SMILES for ethyl 4-bromo-2,3-dihydro-1-benzofuran-2-carboxylate is CCOC(=O)C1Cc2c(Br)cccc2O1.
What is the InChIKey of ethyl 4-bromo-2,3-dihydro-1-benzofuran-2-carboxylate?
The InChIKey is NNTMXESCUDUAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO3/c1-2-14-11(13)10-6-7-8(12)4-3-5-9(7)15-10/h3-5,10H,2,6H2,1H3.
What are the key properties of ethyl 4-bromo-2,3-dihydro-1-benzofuran-2-carboxylate?
ethyl 4-bromo-2,3-dihydro-1-benzofuran-2-carboxylate has a molecular weight of 271.11 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-bromo-2,3-dihydro-1-benzofuran-2-carboxylate is sourced from PubChem (CID 131292077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).