1-(4-bromophenyl)-3-(5-methylfuran-2-yl)prop-2-en-1-one

C14H11BrO2 — CID 3110690

IUPAC1-(4-bromophenyl)-3-(5-methylfuran-2-yl)prop-2-en-1-one
SMILESCc1ccc(C=CC(=O)c2ccc(Br)cc2)o1
InChIInChI=1S/C14H11BrO2/c1-10-2-7-13(17-10)8-9-14(16)11-3-5-12(15)6-4-11/h2-9H,1H3
InChIKeyFIPMWEVULNJUIL-UHFFFAOYSA-N
MW291.14 g/mol
LogP4.25
Rot. Bonds3

About 1-(4-bromophenyl)-3-(5-methylfuran-2-yl)prop-2-en-1-one

1-(4-bromophenyl)-3-(5-methylfuran-2-yl)prop-2-en-1-one (PubChem CID 3110690) has the molecular formula C14H11BrO2 and a molecular weight of 291.14 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(5-methylfuran-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(5-methylfuran-2-yl)prop-2-en-1-one
PubChem CID3110690
Molecular FormulaC14H11BrO2
Molecular Weight291.14 g/mol
Exact Mass289.99
IUPAC Name1-(4-bromophenyl)-3-(5-methylfuran-2-yl)prop-2-en-1-one
SMILESCc1ccc(C=CC(=O)c2ccc(Br)cc2)o1
InChIInChI=1S/C14H11BrO2/c1-10-2-7-13(17-10)8-9-14(16)11-3-5-12(15)6-4-11/h2-9H,1H3
InChIKeyFIPMWEVULNJUIL-UHFFFAOYSA-N
XLogP4.25
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 54.25
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

(E)-1-(4-bromophenyl)-3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]prop-2-en-1-one
CID 19541318
3-(4-bromophenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 3733090
(E)-1-(4-bromophenyl)-3-(2-methylphenyl)prop-2-en-1-one
CID 6244990
(E)-N-tert-butyl-3-(5-methylfuran-2-yl)prop-2-enamide
CID 923455
N-(4-bromo-2-fluorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 887928
1-(4-bromophenyl)-3-(4-hydroxy-3,5-dimethylphenyl)prop-2-en-1-one
CID 66704273
(E)-1-(4-bromophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 5357659
N-(4-acetylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 712902
(E)-1-(4-bromophenyl)-3-(3-methylthiophen-2-yl)prop-2-en-1-one
CID 139071939
(E)-3-[5-[(4-bromophenoxy)methyl]furan-2-yl]-1-(3,4-dichlorophenyl)prop-2-en-1-one
CID 19569130
[4-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]phenyl] acetate
CID 139234416
(E)-1-(4-methoxyphenyl)-3-[5-[(2,4,6-tribromophenoxy)methyl]furan-2-yl]prop-2-en-1-one
CID 19558685

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(5-methylfuran-2-yl)prop-2-en-1-one?
The IUPAC name of 1-(4-bromophenyl)-3-(5-methylfuran-2-yl)prop-2-en-1-one (CID 3110690) is 1-(4-bromophenyl)-3-(5-methylfuran-2-yl)prop-2-en-1-one.
What is the SMILES notation for 1-(4-bromophenyl)-3-(5-methylfuran-2-yl)prop-2-en-1-one?
The canonical SMILES for 1-(4-bromophenyl)-3-(5-methylfuran-2-yl)prop-2-en-1-one is Cc1ccc(C=CC(=O)c2ccc(Br)cc2)o1.
What is the InChIKey of 1-(4-bromophenyl)-3-(5-methylfuran-2-yl)prop-2-en-1-one?
The InChIKey is FIPMWEVULNJUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrO2/c1-10-2-7-13(17-10)8-9-14(16)11-3-5-12(15)6-4-11/h2-9H,1H3.
What are the key properties of 1-(4-bromophenyl)-3-(5-methylfuran-2-yl)prop-2-en-1-one?
1-(4-bromophenyl)-3-(5-methylfuran-2-yl)prop-2-en-1-one has a molecular weight of 291.14 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(5-methylfuran-2-yl)prop-2-en-1-one is sourced from PubChem (CID 3110690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).