(5-bromofuran-2-yl)-(2-chloro-4-methylphenyl)methanone

C12H8BrClO2 — CID 106860843

IUPAC(5-bromofuran-2-yl)-(2-chloro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(Br)o2)c(Cl)c1
InChIInChI=1S/C12H8BrClO2/c1-7-2-3-8(9(14)6-7)12(15)10-4-5-11(13)16-10/h2-6H,1H3
InChIKeyUATHLJSGAUORSA-UHFFFAOYSA-N
MW299.55 g/mol
LogP4.23
Rot. Bonds2

About (5-bromofuran-2-yl)-(2-chloro-4-methylphenyl)methanone

(5-bromofuran-2-yl)-(2-chloro-4-methylphenyl)methanone (PubChem CID 106860843) has the molecular formula C12H8BrClO2 and a molecular weight of 299.55 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-(2-chloro-4-methylphenyl)methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-(2-chloro-4-methylphenyl)methanone
PubChem CID106860843
Molecular FormulaC12H8BrClO2
Molecular Weight299.55 g/mol
Exact Mass297.94
IUPAC Name(5-bromofuran-2-yl)-(2-chloro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(Br)o2)c(Cl)c1
InChIInChI=1S/C12H8BrClO2/c1-7-2-3-8(9(14)6-7)12(15)10-4-5-11(13)16-10/h2-6H,1H3
InChIKeyUATHLJSGAUORSA-UHFFFAOYSA-N
XLogP4.23
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.55
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromofuran-2-yl)-(2,5-dimethylphenyl)methanone
CID 43462525
(5-bromofuran-2-yl)-(3-chloro-2-methylphenyl)methanone
CID 107096201
(5-bromofuran-2-yl)-(6-methyl-1H-indol-3-yl)methanone
CID 43463712
[3-bromo-4-(2-chloro-4-methylbenzoyl)phenyl]methanesulfonamide
CID 146252089
(5-chlorofuran-2-yl)-(2,4-dichlorophenyl)methanone
CID 106683803
(4-bromo-2-chlorophenyl)-(2,5-dimethylphenyl)methanone
CID 43805047
(5-bromofuran-2-yl)-(4-chlorophenyl)methanone
CID 43462859
(2-chloro-4-methylphenyl)-(2,4,5-trimethylphenyl)methanone
CID 106864991
(2-chloro-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 106865191
(5-bromofuran-2-yl)-(2,4-difluorophenyl)methanone
CID 43462664
(2-chloro-4-methylphenyl)-(5-methylthiophen-2-yl)methanone
CID 106860754
1-(2-chloro-4-methylphenyl)-2-(4-methylphenyl)ethanone
CID 106861498

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-(2-chloro-4-methylphenyl)methanone?
The IUPAC name of (5-bromofuran-2-yl)-(2-chloro-4-methylphenyl)methanone (CID 106860843) is (5-bromofuran-2-yl)-(2-chloro-4-methylphenyl)methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-(2-chloro-4-methylphenyl)methanone?
The canonical SMILES for (5-bromofuran-2-yl)-(2-chloro-4-methylphenyl)methanone is Cc1ccc(C(=O)c2ccc(Br)o2)c(Cl)c1.
What is the InChIKey of (5-bromofuran-2-yl)-(2-chloro-4-methylphenyl)methanone?
The InChIKey is UATHLJSGAUORSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClO2/c1-7-2-3-8(9(14)6-7)12(15)10-4-5-11(13)16-10/h2-6H,1H3.
What are the key properties of (5-bromofuran-2-yl)-(2-chloro-4-methylphenyl)methanone?
(5-bromofuran-2-yl)-(2-chloro-4-methylphenyl)methanone has a molecular weight of 299.55 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-(2-chloro-4-methylphenyl)methanone is sourced from PubChem (CID 106860843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).