(5-bromofuran-2-yl)-(2,5-dimethylphenyl)methanone

C13H11BrO2 — CID 43462525

IUPAC(5-bromofuran-2-yl)-(2,5-dimethylphenyl)methanone
SMILESCc1ccc(C)c(C(=O)c2ccc(Br)o2)c1
InChIInChI=1S/C13H11BrO2/c1-8-3-4-9(2)10(7-8)13(15)11-5-6-12(14)16-11/h3-7H,1-2H3
InChIKeyQMQFUSRWGWMQAE-UHFFFAOYSA-N
MW279.13 g/mol
LogP3.89
Rot. Bonds2

About (5-bromofuran-2-yl)-(2,5-dimethylphenyl)methanone

(5-bromofuran-2-yl)-(2,5-dimethylphenyl)methanone (PubChem CID 43462525) has the molecular formula C13H11BrO2 and a molecular weight of 279.13 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-(2,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-(2,5-dimethylphenyl)methanone
PubChem CID43462525
Molecular FormulaC13H11BrO2
Molecular Weight279.13 g/mol
Exact Mass277.99
IUPAC Name(5-bromofuran-2-yl)-(2,5-dimethylphenyl)methanone
SMILESCc1ccc(C)c(C(=O)c2ccc(Br)o2)c1
InChIInChI=1S/C13H11BrO2/c1-8-3-4-9(2)10(7-8)13(15)11-5-6-12(14)16-11/h3-7H,1-2H3
InChIKeyQMQFUSRWGWMQAE-UHFFFAOYSA-N
XLogP3.89
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.13
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromofuran-2-yl)-(2-chloro-4-methylphenyl)methanone
CID 106860843
(5-bromofuran-2-yl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 82095027
(5-bromofuran-2-yl)-(6-methyl-1H-indol-3-yl)methanone
CID 43463712
(5-bromofuran-2-yl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106681869
(5-bromo-4-chlorothiophen-2-yl)-(2,5-dimethylphenyl)methanone
CID 80531818
(5-chlorofuran-2-yl)-(5-fluoro-2-methylphenyl)methanone
CID 106690980
(5-bromofuran-2-yl)-(3-chloro-2-methylphenyl)methanone
CID 107096201
5-[(5-bromofuran-2-carbonyl)amino]-2-methylbenzoic acid
CID 63652798
(5-bromo-3-methyl-1-benzofuran-2-yl)-(2,5-dimethylphenyl)methanone
CID 28880635
(4-bromothiophen-3-yl)-(2,5-dimethylphenyl)methanone
CID 115784127
(5-bromo-2-chlorophenyl)-(2,5-dimethylphenyl)methanone
CID 43378824
(5-bromofuran-2-yl)-(2,4-difluorophenyl)methanone
CID 43462664

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-(2,5-dimethylphenyl)methanone?
The IUPAC name of (5-bromofuran-2-yl)-(2,5-dimethylphenyl)methanone (CID 43462525) is (5-bromofuran-2-yl)-(2,5-dimethylphenyl)methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-(2,5-dimethylphenyl)methanone?
The canonical SMILES for (5-bromofuran-2-yl)-(2,5-dimethylphenyl)methanone is Cc1ccc(C)c(C(=O)c2ccc(Br)o2)c1.
What is the InChIKey of (5-bromofuran-2-yl)-(2,5-dimethylphenyl)methanone?
The InChIKey is QMQFUSRWGWMQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrO2/c1-8-3-4-9(2)10(7-8)13(15)11-5-6-12(14)16-11/h3-7H,1-2H3.
What are the key properties of (5-bromofuran-2-yl)-(2,5-dimethylphenyl)methanone?
(5-bromofuran-2-yl)-(2,5-dimethylphenyl)methanone has a molecular weight of 279.13 g/mol, XLogP of 3.89, 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)-(2,5-dimethylphenyl)methanone is sourced from PubChem (CID 43462525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).