(2E,3Z)-5-bromo-2-ethylidene-3-prop-2-enylidene-1-benzofuran

C13H11BrO — CID 144567617

IUPAC(2E,3Z)-5-bromo-2-ethylidene-3-prop-2-enylidene-1-benzofuran
SMILESC=C/C=c1\c(=C/C)oc2ccc(Br)cc12
InChIInChI=1S/C13H11BrO/c1-3-5-10-11-8-9(14)6-7-13(11)15-12(10)4-2/h3-8H,1H2,2H3/b10-5-,12-4+
InChIKeyQAPLSIDEJMUQKZ-LZCVDSOTSA-N
MW263.13 g/mol
LogP2.96
Rot. Bonds1

About (2E,3Z)-5-bromo-2-ethylidene-3-prop-2-enylidene-1-benzofuran

(2E,3Z)-5-bromo-2-ethylidene-3-prop-2-enylidene-1-benzofuran (PubChem CID 144567617) has the molecular formula C13H11BrO and a molecular weight of 263.13 g/mol. Its IUPAC name is (2E,3Z)-5-bromo-2-ethylidene-3-prop-2-enylidene-1-benzofuran.

Molecular Properties

Compound Name(2E,3Z)-5-bromo-2-ethylidene-3-prop-2-enylidene-1-benzofuran
PubChem CID144567617
Molecular FormulaC13H11BrO
Molecular Weight263.13 g/mol
Exact Mass262.00
IUPAC Name(2E,3Z)-5-bromo-2-ethylidene-3-prop-2-enylidene-1-benzofuran
SMILESC=C/C=c1\c(=C/C)oc2ccc(Br)cc12
InChIInChI=1S/C13H11BrO/c1-3-5-10-11-8-9(14)6-7-13(11)15-12(10)4-2/h3-8H,1H2,2H3/b10-5-,12-4+
InChIKeyQAPLSIDEJMUQKZ-LZCVDSOTSA-N
XLogP2.96
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.13
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-5-bromo-2-ethylidene-3-prop-2-enylidene-1-benzofuran?
The IUPAC name of (2E,3Z)-5-bromo-2-ethylidene-3-prop-2-enylidene-1-benzofuran (CID 144567617) is (2E,3Z)-5-bromo-2-ethylidene-3-prop-2-enylidene-1-benzofuran.
What is the SMILES notation for (2E,3Z)-5-bromo-2-ethylidene-3-prop-2-enylidene-1-benzofuran?
The canonical SMILES for (2E,3Z)-5-bromo-2-ethylidene-3-prop-2-enylidene-1-benzofuran is C=C/C=c1\c(=C/C)oc2ccc(Br)cc12.
What is the InChIKey of (2E,3Z)-5-bromo-2-ethylidene-3-prop-2-enylidene-1-benzofuran?
The InChIKey is QAPLSIDEJMUQKZ-LZCVDSOTSA-N. The full InChI is InChI=1S/C13H11BrO/c1-3-5-10-11-8-9(14)6-7-13(11)15-12(10)4-2/h3-8H,1H2,2H3/b10-5-,12-4+.
What are the key properties of (2E,3Z)-5-bromo-2-ethylidene-3-prop-2-enylidene-1-benzofuran?
(2E,3Z)-5-bromo-2-ethylidene-3-prop-2-enylidene-1-benzofuran has a molecular weight of 263.13 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-5-bromo-2-ethylidene-3-prop-2-enylidene-1-benzofuran is sourced from PubChem (CID 144567617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).