(E)-1-(2-bromophenyl)-3-(furan-2-yl)prop-2-en-1-one

C13H9BrO2 — CID 11623260

IUPAC(E)-1-(2-bromophenyl)-3-(furan-2-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccco1)c1ccccc1Br
InChIInChI=1S/C13H9BrO2/c14-12-6-2-1-5-11(12)13(15)8-7-10-4-3-9-16-10/h1-9H/b8-7+
InChIKeyDCBVCJZEXFNIDD-BQYQJAHWSA-N
MW277.12 g/mol
LogP3.94
Rot. Bonds3

About (E)-1-(2-bromophenyl)-3-(furan-2-yl)prop-2-en-1-one

(E)-1-(2-bromophenyl)-3-(furan-2-yl)prop-2-en-1-one (PubChem CID 11623260) has the molecular formula C13H9BrO2 and a molecular weight of 277.12 g/mol. Its IUPAC name is (E)-1-(2-bromophenyl)-3-(furan-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2-bromophenyl)-3-(furan-2-yl)prop-2-en-1-one
PubChem CID11623260
Molecular FormulaC13H9BrO2
Molecular Weight277.12 g/mol
Exact Mass275.98
IUPAC Name(E)-1-(2-bromophenyl)-3-(furan-2-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccco1)c1ccccc1Br
InChIInChI=1S/C13H9BrO2/c14-12-6-2-1-5-11(12)13(15)8-7-10-4-3-9-16-10/h1-9H/b8-7+
InChIKeyDCBVCJZEXFNIDD-BQYQJAHWSA-N
XLogP3.94
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.12
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[(E)-3-(furan-2-yl)prop-2-enoyl]-2-hydroxycyclohepta-2,4,6-trien-1-one
CID 13402801
2,2,2-trifluoro-N-[2-[(E)-3-(furan-2-yl)prop-2-enoyl]phenyl]acetamide
CID 141410053
2-[(E)-2-(2-bromophenyl)ethenyl]furan
CID 11831804
3-(furan-2-yl)prop-2-enoic acid
CID 159116571
CID 59090942
CID 59090942
(E)-1-(2-bromophenyl)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one
CID 6160846
3-(furan-2-yl)prop-2-enoyl chloride
CID 53411285
1-(4-aminophenyl)-3-(furan-2-yl)prop-2-en-1-one
CID 2859153
(Z)-1-(4-fluorophenyl)-3-(furan-2-yl)prop-2-en-1-one
CID 11550283
1-(3,5-dichloro-2-hydroxyphenyl)-3-(furan-2-yl)prop-2-en-1-one
CID 2781430
(E)-1-(2-bromophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 6241202
(E)-1-(2-bromophenyl)-3-(2-trimethylsilylphenyl)prop-2-en-1-one
CID 153319984

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-bromophenyl)-3-(furan-2-yl)prop-2-en-1-one?
The IUPAC name of (E)-1-(2-bromophenyl)-3-(furan-2-yl)prop-2-en-1-one (CID 11623260) is (E)-1-(2-bromophenyl)-3-(furan-2-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(2-bromophenyl)-3-(furan-2-yl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(2-bromophenyl)-3-(furan-2-yl)prop-2-en-1-one is O=C(/C=C/c1ccco1)c1ccccc1Br.
What is the InChIKey of (E)-1-(2-bromophenyl)-3-(furan-2-yl)prop-2-en-1-one?
The InChIKey is DCBVCJZEXFNIDD-BQYQJAHWSA-N. The full InChI is InChI=1S/C13H9BrO2/c14-12-6-2-1-5-11(12)13(15)8-7-10-4-3-9-16-10/h1-9H/b8-7+.
What are the key properties of (E)-1-(2-bromophenyl)-3-(furan-2-yl)prop-2-en-1-one?
(E)-1-(2-bromophenyl)-3-(furan-2-yl)prop-2-en-1-one has a molecular weight of 277.12 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-bromophenyl)-3-(furan-2-yl)prop-2-en-1-one is sourced from PubChem (CID 11623260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).