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

C8H6BrClO — CID 142930046

IUPAC(2S)-2-bromo-5-chloro-2,3-dihydro-1-benzofuran
SMILESClc1ccc2c(c1)C[C@H](Br)O2
InChIInChI=1S/C8H6BrClO/c9-8-4-5-3-6(10)1-2-7(5)11-8/h1-3,8H,4H2/t8-/m1/s1
InChIKeyORUOMRNIFYXPAY-MRVPVSSYSA-N
MW233.49 g/mol
LogP3.00
Rot. Bonds

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

(2S)-2-bromo-5-chloro-2,3-dihydro-1-benzofuran (PubChem CID 142930046) has the molecular formula C8H6BrClO and a molecular weight of 233.49 g/mol. Its IUPAC name is (2S)-2-bromo-5-chloro-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name(2S)-2-bromo-5-chloro-2,3-dihydro-1-benzofuran
PubChem CID142930046
Molecular FormulaC8H6BrClO
Molecular Weight233.49 g/mol
Exact Mass231.93
IUPAC Name(2S)-2-bromo-5-chloro-2,3-dihydro-1-benzofuran
SMILESClc1ccc2c(c1)C[C@H](Br)O2
InChIInChI=1S/C8H6BrClO/c9-8-4-5-3-6(10)1-2-7(5)11-8/h1-3,8H,4H2/t8-/m1/s1
InChIKeyORUOMRNIFYXPAY-MRVPVSSYSA-N
XLogP3.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.49
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[(2S)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 40566108
(4bR,10aS)-2,8-dichloro-4b,10,10a,11-tetrahydroindeno[1,2-b]chromene
CID 22826681
1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)ethanol
CID 117200866
5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42920084
1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)ethanone
CID 67297085
2-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride
CID 45262583
2-(azidomethyl)-5-chloro-2,3-dihydro-1-benzofuran
CID 66362547
2-[(E)-but-1-enyl]-5-chloro-2,3-dihydro-1-benzofuran
CID 67262425
5-chloro-2-(phenylselanylmethyl)-2,3-dihydro-1-benzofuran
CID 56961244
2,8-dichloro-N-methyl-11,12-dihydro-10H-benzo[b][1]benzoxocin-11-amine;hydrochloride
CID 19864656
6-chloro-2-propan-2-yl-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 165482860
1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-N-[(4-chlorophenyl)methyl]methanamine
CID 66391607

Frequently Asked Questions

What is the IUPAC name of (2S)-2-bromo-5-chloro-2,3-dihydro-1-benzofuran?
The IUPAC name of (2S)-2-bromo-5-chloro-2,3-dihydro-1-benzofuran (CID 142930046) is (2S)-2-bromo-5-chloro-2,3-dihydro-1-benzofuran.
What is the SMILES notation for (2S)-2-bromo-5-chloro-2,3-dihydro-1-benzofuran?
The canonical SMILES for (2S)-2-bromo-5-chloro-2,3-dihydro-1-benzofuran is Clc1ccc2c(c1)C[C@H](Br)O2.
What is the InChIKey of (2S)-2-bromo-5-chloro-2,3-dihydro-1-benzofuran?
The InChIKey is ORUOMRNIFYXPAY-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H6BrClO/c9-8-4-5-3-6(10)1-2-7(5)11-8/h1-3,8H,4H2/t8-/m1/s1.
What are the key properties of (2S)-2-bromo-5-chloro-2,3-dihydro-1-benzofuran?
(2S)-2-bromo-5-chloro-2,3-dihydro-1-benzofuran has a molecular weight of 233.49 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-bromo-5-chloro-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 142930046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).