1-[3-[(4-bromophenyl)methylidene]furan-2-ylidene]ethanol

C13H11BrO2 — CID 57294314

IUPAC1-[3-[(4-bromophenyl)methylidene]furan-2-ylidene]ethanol
SMILESCC(O)=c1occc1=Cc1ccc(Br)cc1
InChIInChI=1S/C13H11BrO2/c1-9(15)13-11(6-7-16-13)8-10-2-4-12(14)5-3-10/h2-8,15H,1H3
InChIKeyKKQGCJYIIFJJAI-UHFFFAOYSA-N
MW279.13 g/mol
LogP2.56
Rot. Bonds1

About 1-[3-[(4-bromophenyl)methylidene]furan-2-ylidene]ethanol

1-[3-[(4-bromophenyl)methylidene]furan-2-ylidene]ethanol (PubChem CID 57294314) has the molecular formula C13H11BrO2 and a molecular weight of 279.13 g/mol. Its IUPAC name is 1-[3-[(4-bromophenyl)methylidene]furan-2-ylidene]ethanol.

Molecular Properties

Compound Name1-[3-[(4-bromophenyl)methylidene]furan-2-ylidene]ethanol
PubChem CID57294314
Molecular FormulaC13H11BrO2
Molecular Weight279.13 g/mol
Exact Mass277.99
IUPAC Name1-[3-[(4-bromophenyl)methylidene]furan-2-ylidene]ethanol
SMILESCC(O)=c1occc1=Cc1ccc(Br)cc1
InChIInChI=1S/C13H11BrO2/c1-9(15)13-11(6-7-16-13)8-10-2-4-12(14)5-3-10/h2-8,15H,1H3
InChIKeyKKQGCJYIIFJJAI-UHFFFAOYSA-N
XLogP2.56
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.13
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

azane;1,4-dibromobenzene
CID 175259215
1-bromo-4-but-2-en-2-ylbenzene
CID 72775371
3-(4-bromophenyl)-2-methylprop-2-enal
CID 71356769
2,7-bis[2-(4-bromophenyl)ethenyl]naphthalene
CID 71410772
(Z)-[(2Z)-2-(3-methylbutan-2-ylidene)furan-3-ylidene]methanamine
CID 122429441
(E)-3-(4-bromophenyl)-1-(2-methyloxiran-2-yl)prop-2-en-1-one
CID 12554455
1-bromo-4-[(3-methylcyclobutylidene)methyl]benzene
CID 130375540
(3Z)-2-methylidene-3-(2-methylprop-2-enylidene)furan
CID 145430189
(Z)-3-bromo-4-(4-bromophenyl)but-3-en-2-one
CID 132550401
1-bromo-4-ethenylbenzene;ethane
CID 144688744
(4Z)-4-[(4-bromophenyl)methylidene]-2-methyl-1,3-oxazole
CID 175747149
2-[(4-bromophenyl)methylidene]cyclopent-4-ene-1,3-dione
CID 56669523

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-bromophenyl)methylidene]furan-2-ylidene]ethanol?
The IUPAC name of 1-[3-[(4-bromophenyl)methylidene]furan-2-ylidene]ethanol (CID 57294314) is 1-[3-[(4-bromophenyl)methylidene]furan-2-ylidene]ethanol.
What is the SMILES notation for 1-[3-[(4-bromophenyl)methylidene]furan-2-ylidene]ethanol?
The canonical SMILES for 1-[3-[(4-bromophenyl)methylidene]furan-2-ylidene]ethanol is CC(O)=c1occc1=Cc1ccc(Br)cc1.
What is the InChIKey of 1-[3-[(4-bromophenyl)methylidene]furan-2-ylidene]ethanol?
The InChIKey is KKQGCJYIIFJJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrO2/c1-9(15)13-11(6-7-16-13)8-10-2-4-12(14)5-3-10/h2-8,15H,1H3.
What are the key properties of 1-[3-[(4-bromophenyl)methylidene]furan-2-ylidene]ethanol?
1-[3-[(4-bromophenyl)methylidene]furan-2-ylidene]ethanol has a molecular weight of 279.13 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-bromophenyl)methylidene]furan-2-ylidene]ethanol is sourced from PubChem (CID 57294314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).