(2S)-5-bromo-2-methyl-2,3-dihydro-1-benzofuran

C9H9BrO — CID 93279299

IUPAC(2S)-5-bromo-2-methyl-2,3-dihydro-1-benzofuran
SMILESC[C@H]1Cc2cc(Br)ccc2O1
InChIInChI=1S/C9H9BrO/c1-6-4-7-5-8(10)2-3-9(7)11-6/h2-3,5-6H,4H2,1H3/t6-/m0/s1
InChIKeyFEPPMMHYULGHKP-LURJTMIESA-N
MW213.07 g/mol
LogP2.77
Rot. Bonds

About (2S)-5-bromo-2-methyl-2,3-dihydro-1-benzofuran

(2S)-5-bromo-2-methyl-2,3-dihydro-1-benzofuran (PubChem CID 93279299) has the molecular formula C9H9BrO and a molecular weight of 213.07 g/mol. Its IUPAC name is (2S)-5-bromo-2-methyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name(2S)-5-bromo-2-methyl-2,3-dihydro-1-benzofuran
PubChem CID93279299
Molecular FormulaC9H9BrO
Molecular Weight213.07 g/mol
Exact Mass211.98
IUPAC Name(2S)-5-bromo-2-methyl-2,3-dihydro-1-benzofuran
SMILESC[C@H]1Cc2cc(Br)ccc2O1
InChIInChI=1S/C9H9BrO/c1-6-4-7-5-8(10)2-3-9(7)11-6/h2-3,5-6H,4H2,1H3/t6-/m0/s1
InChIKeyFEPPMMHYULGHKP-LURJTMIESA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.07
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-2-methyl-2,3-dihydro-1-benzofuran
CID 13301601
(5-bromo-2-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 65308282
(2R)-5-iodo-2-methyl-2,3-dihydro-1-benzofuran
CID 176929787
N-[(4-bromophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine
CID 43493498
1-(5-bromo-2,3-dihydro-1-benzofuran-2-yl)ethanol
CID 117200868
5-[bromo-(2-chloro-4-methylphenyl)methyl]-2-methyl-2,3-dihydro-1-benzofuran
CID 106863093
cyclopropane;2,5-dimethyl-2,3-dihydro-1-benzofuran;ethane
CID 145338226
2,5-dimethyl-2,3-dihydro-1-benzofuran;ethane;propane
CID 145338242
1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine
CID 82404450
trifluoro-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)boranuide
CID 63677632
5-isocyano-2-methyl-2,3-dihydro-1-benzofuran
CID 83480135
[(2R)-5-bromo-2,3-dihydro-1-benzofuran-2-yl]methanol
CID 86326706

Frequently Asked Questions

What is the IUPAC name of (2S)-5-bromo-2-methyl-2,3-dihydro-1-benzofuran?
The IUPAC name of (2S)-5-bromo-2-methyl-2,3-dihydro-1-benzofuran (CID 93279299) is (2S)-5-bromo-2-methyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for (2S)-5-bromo-2-methyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for (2S)-5-bromo-2-methyl-2,3-dihydro-1-benzofuran is C[C@H]1Cc2cc(Br)ccc2O1.
What is the InChIKey of (2S)-5-bromo-2-methyl-2,3-dihydro-1-benzofuran?
The InChIKey is FEPPMMHYULGHKP-LURJTMIESA-N. The full InChI is InChI=1S/C9H9BrO/c1-6-4-7-5-8(10)2-3-9(7)11-6/h2-3,5-6H,4H2,1H3/t6-/m0/s1.
What are the key properties of (2S)-5-bromo-2-methyl-2,3-dihydro-1-benzofuran?
(2S)-5-bromo-2-methyl-2,3-dihydro-1-benzofuran has a molecular weight of 213.07 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-bromo-2-methyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 93279299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).