(4-bromophenyl)-[2-(furan-2-yl)phenyl]methanone

C17H11BrO2 — CID 168524602

IUPAC(4-bromophenyl)-[2-(furan-2-yl)phenyl]methanone
SMILESO=C(c1ccc(Br)cc1)c1ccccc1-c1ccco1
InChIInChI=1S/C17H11BrO2/c18-13-9-7-12(8-10-13)17(19)15-5-2-1-4-14(15)16-6-3-11-20-16/h1-11H
InChIKeyJSOIWWWZCXNLPN-UHFFFAOYSA-N
MW327.18 g/mol
LogP4.94
Rot. Bonds3

About (4-bromophenyl)-[2-(furan-2-yl)phenyl]methanone

(4-bromophenyl)-[2-(furan-2-yl)phenyl]methanone (PubChem CID 168524602) has the molecular formula C17H11BrO2 and a molecular weight of 327.18 g/mol. Its IUPAC name is (4-bromophenyl)-[2-(furan-2-yl)phenyl]methanone.

Molecular Properties

Compound Name(4-bromophenyl)-[2-(furan-2-yl)phenyl]methanone
PubChem CID168524602
Molecular FormulaC17H11BrO2
Molecular Weight327.18 g/mol
Exact Mass325.99
IUPAC Name(4-bromophenyl)-[2-(furan-2-yl)phenyl]methanone
SMILESO=C(c1ccc(Br)cc1)c1ccccc1-c1ccco1
InChIInChI=1S/C17H11BrO2/c18-13-9-7-12(8-10-13)17(19)15-5-2-1-4-14(15)16-6-3-11-20-16/h1-11H
InChIKeyJSOIWWWZCXNLPN-UHFFFAOYSA-N
XLogP4.94
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[2-(furan-2-yl)phenyl]methanone?
The IUPAC name of (4-bromophenyl)-[2-(furan-2-yl)phenyl]methanone (CID 168524602) is (4-bromophenyl)-[2-(furan-2-yl)phenyl]methanone.
What is the SMILES notation for (4-bromophenyl)-[2-(furan-2-yl)phenyl]methanone?
The canonical SMILES for (4-bromophenyl)-[2-(furan-2-yl)phenyl]methanone is O=C(c1ccc(Br)cc1)c1ccccc1-c1ccco1.
What is the InChIKey of (4-bromophenyl)-[2-(furan-2-yl)phenyl]methanone?
The InChIKey is JSOIWWWZCXNLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrO2/c18-13-9-7-12(8-10-13)17(19)15-5-2-1-4-14(15)16-6-3-11-20-16/h1-11H.
What are the key properties of (4-bromophenyl)-[2-(furan-2-yl)phenyl]methanone?
(4-bromophenyl)-[2-(furan-2-yl)phenyl]methanone has a molecular weight of 327.18 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-[2-(furan-2-yl)phenyl]methanone is sourced from PubChem (CID 168524602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).