(3,5-dibromo-4-hydroxyphenyl)-[(4Z,5E)-2-ethyl-4-ethylidene-5-prop-2-enylidenefuran-3-yl]methanone

C18H16Br2O3 — CID 143152515

IUPAC(3,5-dibromo-4-hydroxyphenyl)-[(4Z,5E)-2-ethyl-4-ethylidene-5-prop-2-enylidenefuran-3-yl]methanone
SMILESC=C/C=c1/oc(CC)c(C(=O)c2cc(Br)c(O)c(Br)c2)/c1=C/C
InChIInChI=1S/C18H16Br2O3/c1-4-7-15-11(5-2)16(14(6-3)23-15)17(21)10-8-12(19)18(22)13(20)9-10/h4-5,7-9,22H,1,6H2,2-3H3/b11-5+,15-7+
InChIKeyZBLDJMIQOKKSDH-DOOUNCHDSA-N
MW440.13 g/mol
LogP4.07
Rot. Bonds4

About (3,5-dibromo-4-hydroxyphenyl)-[(4Z,5E)-2-ethyl-4-ethylidene-5-prop-2-enylidenefuran-3-yl]methanone

(3,5-dibromo-4-hydroxyphenyl)-[(4Z,5E)-2-ethyl-4-ethylidene-5-prop-2-enylidenefuran-3-yl]methanone (PubChem CID 143152515) has the molecular formula C18H16Br2O3 and a molecular weight of 440.13 g/mol. Its IUPAC name is (3,5-dibromo-4-hydroxyphenyl)-[(4Z,5E)-2-ethyl-4-ethylidene-5-prop-2-enylidenefuran-3-yl]methanone.

Molecular Properties

Compound Name(3,5-dibromo-4-hydroxyphenyl)-[(4Z,5E)-2-ethyl-4-ethylidene-5-prop-2-enylidenefuran-3-yl]methanone
PubChem CID143152515
Molecular FormulaC18H16Br2O3
Molecular Weight440.13 g/mol
Exact Mass437.95
IUPAC Name(3,5-dibromo-4-hydroxyphenyl)-[(4Z,5E)-2-ethyl-4-ethylidene-5-prop-2-enylidenefuran-3-yl]methanone
SMILESC=C/C=c1/oc(CC)c(C(=O)c2cc(Br)c(O)c(Br)c2)/c1=C/C
InChIInChI=1S/C18H16Br2O3/c1-4-7-15-11(5-2)16(14(6-3)23-15)17(21)10-8-12(19)18(22)13(20)9-10/h4-5,7-9,22H,1,6H2,2-3H3/b11-5+,15-7+
InChIKeyZBLDJMIQOKKSDH-DOOUNCHDSA-N
XLogP4.07
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.13
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3,5-dibromo-4-hydroxyphenyl)-[(4Z,5E)-2-ethyl-4-ethylidene-5-prop-2-enylidenefuran-3-yl]methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3,5-dibromo-4-hydroxyphenyl)-[(4Z,5E)-2-ethyl-4-ethylidene-5-prop-2-enylidenefuran-3-yl]methanone?
The IUPAC name of (3,5-dibromo-4-hydroxyphenyl)-[(4Z,5E)-2-ethyl-4-ethylidene-5-prop-2-enylidenefuran-3-yl]methanone (CID 143152515) is (3,5-dibromo-4-hydroxyphenyl)-[(4Z,5E)-2-ethyl-4-ethylidene-5-prop-2-enylidenefuran-3-yl]methanone.
What is the SMILES notation for (3,5-dibromo-4-hydroxyphenyl)-[(4Z,5E)-2-ethyl-4-ethylidene-5-prop-2-enylidenefuran-3-yl]methanone?
The canonical SMILES for (3,5-dibromo-4-hydroxyphenyl)-[(4Z,5E)-2-ethyl-4-ethylidene-5-prop-2-enylidenefuran-3-yl]methanone is C=C/C=c1/oc(CC)c(C(=O)c2cc(Br)c(O)c(Br)c2)/c1=C/C.
What is the InChIKey of (3,5-dibromo-4-hydroxyphenyl)-[(4Z,5E)-2-ethyl-4-ethylidene-5-prop-2-enylidenefuran-3-yl]methanone?
The InChIKey is ZBLDJMIQOKKSDH-DOOUNCHDSA-N. The full InChI is InChI=1S/C18H16Br2O3/c1-4-7-15-11(5-2)16(14(6-3)23-15)17(21)10-8-12(19)18(22)13(20)9-10/h4-5,7-9,22H,1,6H2,2-3H3/b11-5+,15-7+.
What are the key properties of (3,5-dibromo-4-hydroxyphenyl)-[(4Z,5E)-2-ethyl-4-ethylidene-5-prop-2-enylidenefuran-3-yl]methanone?
(3,5-dibromo-4-hydroxyphenyl)-[(4Z,5E)-2-ethyl-4-ethylidene-5-prop-2-enylidenefuran-3-yl]methanone has a molecular weight of 440.13 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dibromo-4-hydroxyphenyl)-[(4Z,5E)-2-ethyl-4-ethylidene-5-prop-2-enylidenefuran-3-yl]methanone is sourced from PubChem (CID 143152515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).