2-(3-bromo-2,6-dimethylphenyl)furan

C12H11BrO — CID 168526131

IUPAC2-(3-bromo-2,6-dimethylphenyl)furan
SMILESCc1ccc(Br)c(C)c1-c1ccco1
InChIInChI=1S/C12H11BrO/c1-8-5-6-10(13)9(2)12(8)11-4-3-7-14-11/h3-7H,1-2H3
InChIKeyMOKOLPZDTFICBW-UHFFFAOYSA-N
MW251.12 g/mol
LogP4.33
Rot. Bonds1

About 2-(3-bromo-2,6-dimethylphenyl)furan

2-(3-bromo-2,6-dimethylphenyl)furan (PubChem CID 168526131) has the molecular formula C12H11BrO and a molecular weight of 251.12 g/mol. Its IUPAC name is 2-(3-bromo-2,6-dimethylphenyl)furan.

Molecular Properties

Compound Name2-(3-bromo-2,6-dimethylphenyl)furan
PubChem CID168526131
Molecular FormulaC12H11BrO
Molecular Weight251.12 g/mol
Exact Mass250.00
IUPAC Name2-(3-bromo-2,6-dimethylphenyl)furan
SMILESCc1ccc(Br)c(C)c1-c1ccco1
InChIInChI=1S/C12H11BrO/c1-8-5-6-10(13)9(2)12(8)11-4-3-7-14-11/h3-7H,1-2H3
InChIKeyMOKOLPZDTFICBW-UHFFFAOYSA-N
XLogP4.33
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.12
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromo-6-methylphenyl)furan
CID 168524558
2-(2,6-dibromo-3,4-dimethylphenyl)furan
CID 168524606
2-(2,4-dibromo-3-methylphenyl)furan
CID 168526027
2-(4-bromo-2-methoxy-3-methylphenyl)furan
CID 168525781
4-bromo-1-(furan-2-yl)-2-methylanthracene-9,10-dione
CID 168525701
8-(furan-2-yl)-7-methylquinoline
CID 168526725
ethane;2-(furan-2-yl)furan
CID 161366084
2-(4-bromo-5-chloro-2-methylphenyl)furan
CID 168524424
3-(furan-2-yl)-4-methylaniline
CID 61319019
2-(furan-2-yl)-5-methylbenzene-1,4-diamine
CID 18798879
2-(2,3-difluoro-4-methylphenyl)furan
CID 168528076
2-bromo-5-(furan-2-yl)-4-methylbenzoic acid
CID 168525376

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,6-dimethylphenyl)furan?
The IUPAC name of 2-(3-bromo-2,6-dimethylphenyl)furan (CID 168526131) is 2-(3-bromo-2,6-dimethylphenyl)furan.
What is the SMILES notation for 2-(3-bromo-2,6-dimethylphenyl)furan?
The canonical SMILES for 2-(3-bromo-2,6-dimethylphenyl)furan is Cc1ccc(Br)c(C)c1-c1ccco1.
What is the InChIKey of 2-(3-bromo-2,6-dimethylphenyl)furan?
The InChIKey is MOKOLPZDTFICBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrO/c1-8-5-6-10(13)9(2)12(8)11-4-3-7-14-11/h3-7H,1-2H3.
What are the key properties of 2-(3-bromo-2,6-dimethylphenyl)furan?
2-(3-bromo-2,6-dimethylphenyl)furan has a molecular weight of 251.12 g/mol, XLogP of 4.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,6-dimethylphenyl)furan is sourced from PubChem (CID 168526131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).