5-bromo-3-methyl-2-prop-1-en-2-yl-1-benzofuran

C12H11BrO — CID 143831070

IUPAC5-bromo-3-methyl-2-prop-1-en-2-yl-1-benzofuran
SMILESC=C(C)c1oc2ccc(Br)cc2c1C
InChIInChI=1S/C12H11BrO/c1-7(2)12-8(3)10-6-9(13)4-5-11(10)14-12/h4-6H,1H2,2-3H3
InChIKeyXDFNFUZQYMLKCM-UHFFFAOYSA-N
MW251.12 g/mol
LogP4.54
Rot. Bonds1

About 5-bromo-3-methyl-2-prop-1-en-2-yl-1-benzofuran

5-bromo-3-methyl-2-prop-1-en-2-yl-1-benzofuran (PubChem CID 143831070) has the molecular formula C12H11BrO and a molecular weight of 251.12 g/mol. Its IUPAC name is 5-bromo-3-methyl-2-prop-1-en-2-yl-1-benzofuran.

Molecular Properties

Compound Name5-bromo-3-methyl-2-prop-1-en-2-yl-1-benzofuran
PubChem CID143831070
Molecular FormulaC12H11BrO
Molecular Weight251.12 g/mol
Exact Mass250.00
IUPAC Name5-bromo-3-methyl-2-prop-1-en-2-yl-1-benzofuran
SMILESC=C(C)c1oc2ccc(Br)cc2c1C
InChIInChI=1S/C12H11BrO/c1-7(2)12-8(3)10-6-9(13)4-5-11(10)14-12/h4-6H,1H2,2-3H3
InChIKeyXDFNFUZQYMLKCM-UHFFFAOYSA-N
XLogP4.54
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 ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-bromo-3-methyl-2-prop-1-en-2-yl-1-benzofuran with MolForge

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Related Compounds

(5-bromo-3-methyl-1-benzofuran-2-yl)-(4-iodophenyl)methanone
CID 103606800
(5-bromofuran-2-yl)-(5-bromo-3-methyl-1-benzofuran-2-yl)methanone
CID 113437676
(5-bromo-3-methyl-1-benzofuran-2-yl)-(3-bromophenyl)methanone
CID 28880631
(5-bromo-3-methyl-1-benzofuran-2-yl)-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 79403347
(5-bromo-3-methyl-1-benzofuran-2-yl)-(2,5-dimethylphenyl)methanone
CID 28880635
N-(4-acetylphenyl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide
CID 2115784
(5-bromo-3-methyl-1-benzofuran-2-yl)-(3,4-dichlorophenyl)methanone
CID 2767305
5-bromo-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-methyl-1-benzofuran-2-carboxamide
CID 107847340
1-(5-bromo-3-methyl-1-benzofuran-2-yl)propan-2-one
CID 82264330
butyl 5-bromo-3-methyl-1-benzofuran-2-carboxylate
CID 78915211
2-ethoxyethyl 5-bromo-3-methyl-1-benzofuran-2-carboxylate
CID 55354978
methyl 5-bromo-3-methyl-1-benzofuran-2-carboxylate;methyl 5-cyano-3-methyl-1-benzofuran-2-carboxylate
CID 159710350

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-2-prop-1-en-2-yl-1-benzofuran?
The IUPAC name of 5-bromo-3-methyl-2-prop-1-en-2-yl-1-benzofuran (CID 143831070) is 5-bromo-3-methyl-2-prop-1-en-2-yl-1-benzofuran.
What is the SMILES notation for 5-bromo-3-methyl-2-prop-1-en-2-yl-1-benzofuran?
The canonical SMILES for 5-bromo-3-methyl-2-prop-1-en-2-yl-1-benzofuran is C=C(C)c1oc2ccc(Br)cc2c1C.
What is the InChIKey of 5-bromo-3-methyl-2-prop-1-en-2-yl-1-benzofuran?
The InChIKey is XDFNFUZQYMLKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrO/c1-7(2)12-8(3)10-6-9(13)4-5-11(10)14-12/h4-6H,1H2,2-3H3.
What are the key properties of 5-bromo-3-methyl-2-prop-1-en-2-yl-1-benzofuran?
5-bromo-3-methyl-2-prop-1-en-2-yl-1-benzofuran has a molecular weight of 251.12 g/mol, XLogP of 4.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-2-prop-1-en-2-yl-1-benzofuran is sourced from PubChem (CID 143831070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).