ethyl 5-(4-bromophenyl)furan-2-carboxylate

C13H11BrO3 — CID 915758

IUPACethyl 5-(4-bromophenyl)furan-2-carboxylate
SMILESCCOC(=O)c1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C13H11BrO3/c1-2-16-13(15)12-8-7-11(17-12)9-3-5-10(14)6-4-9/h3-8H,2H2,1H3
InChIKeyPRFXBTFBBAZVRC-UHFFFAOYSA-N
MW295.13 g/mol
LogP3.89
Rot. Bonds3

About ethyl 5-(4-bromophenyl)furan-2-carboxylate

ethyl 5-(4-bromophenyl)furan-2-carboxylate (PubChem CID 915758) has the molecular formula C13H11BrO3 and a molecular weight of 295.13 g/mol. Its IUPAC name is ethyl 5-(4-bromophenyl)furan-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-bromophenyl)furan-2-carboxylate
PubChem CID915758
Molecular FormulaC13H11BrO3
Molecular Weight295.13 g/mol
Exact Mass293.99
IUPAC Nameethyl 5-(4-bromophenyl)furan-2-carboxylate
SMILESCCOC(=O)c1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C13H11BrO3/c1-2-16-13(15)12-8-7-11(17-12)9-3-5-10(14)6-4-9/h3-8H,2H2,1H3
InChIKeyPRFXBTFBBAZVRC-UHFFFAOYSA-N
XLogP3.89
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.13
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-bromophenyl)furan-2-carboxylate?
The IUPAC name of ethyl 5-(4-bromophenyl)furan-2-carboxylate (CID 915758) is ethyl 5-(4-bromophenyl)furan-2-carboxylate.
What is the SMILES notation for ethyl 5-(4-bromophenyl)furan-2-carboxylate?
The canonical SMILES for ethyl 5-(4-bromophenyl)furan-2-carboxylate is CCOC(=O)c1ccc(-c2ccc(Br)cc2)o1.
What is the InChIKey of ethyl 5-(4-bromophenyl)furan-2-carboxylate?
The InChIKey is PRFXBTFBBAZVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrO3/c1-2-16-13(15)12-8-7-11(17-12)9-3-5-10(14)6-4-9/h3-8H,2H2,1H3.
What are the key properties of ethyl 5-(4-bromophenyl)furan-2-carboxylate?
ethyl 5-(4-bromophenyl)furan-2-carboxylate has a molecular weight of 295.13 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-bromophenyl)furan-2-carboxylate is sourced from PubChem (CID 915758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).