(3S)-3-amino-6-bromo-2,3-dihydro-1-benzofuran-4-ol

C8H8BrNO2 — CID 131101542

IUPAC(3S)-3-amino-6-bromo-2,3-dihydro-1-benzofuran-4-ol
SMILESN[C@@H]1COc2cc(Br)cc(O)c21
InChIInChI=1S/C8H8BrNO2/c9-4-1-6(11)8-5(10)3-12-7(8)2-4/h1-2,5,11H,3,10H2/t5-/m1/s1
InChIKeySVMOUICXXGFCCW-RXMQYKEDSA-N
MW230.06 g/mol
LogP1.55
Rot. Bonds

About (3S)-3-amino-6-bromo-2,3-dihydro-1-benzofuran-4-ol

(3S)-3-amino-6-bromo-2,3-dihydro-1-benzofuran-4-ol (PubChem CID 131101542) has the molecular formula C8H8BrNO2 and a molecular weight of 230.06 g/mol. Its IUPAC name is (3S)-3-amino-6-bromo-2,3-dihydro-1-benzofuran-4-ol.

Molecular Properties

Compound Name(3S)-3-amino-6-bromo-2,3-dihydro-1-benzofuran-4-ol
PubChem CID131101542
Molecular FormulaC8H8BrNO2
Molecular Weight230.06 g/mol
Exact Mass228.97
IUPAC Name(3S)-3-amino-6-bromo-2,3-dihydro-1-benzofuran-4-ol
SMILESN[C@@H]1COc2cc(Br)cc(O)c21
InChIInChI=1S/C8H8BrNO2/c9-4-1-6(11)8-5(10)3-12-7(8)2-4/h1-2,5,11H,3,10H2/t5-/m1/s1
InChIKeySVMOUICXXGFCCW-RXMQYKEDSA-N
XLogP1.55
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.06
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-amino-6-iodo-2,3-dihydro-1-benzofuran-4-ol
CID 130673906
(3S)-3-amino-6-iodo-2,3-dihydro-1-benzofuran-4-ol
CID 130615232
(3S)-4-bromo-6-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 130741516
3-amino-6-hydroxy-2,3-dihydro-1-benzofuran-4-carbonitrile
CID 130053994
(4R)-5,7-dibromo-3,4-dihydro-2H-chromen-4-amine
CID 72942879
4,6-difluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
CID 75480738
(3R)-3-amino-4-methoxy-2,3-dihydro-1-benzofuran-5-ol
CID 130665432
(3R)-3-amino-6-chloro-2,3-dihydro-1-benzofuran-4-carboxylic acid
CID 131173106
(3R)-3-amino-6-iodo-2,3-dihydro-1-benzofuran-4-carboxylic acid
CID 130778504
(3R)-3-amino-6-fluoro-2,3-dihydro-1-benzofuran-4-carboxylic acid
CID 131128284
(3R)-3-amino-4-fluoro-2,3-dihydro-1-benzofuran-6-carboxylic acid
CID 55271064
(3R)-3-amino-8-bromo-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 131093686

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-6-bromo-2,3-dihydro-1-benzofuran-4-ol?
The IUPAC name of (3S)-3-amino-6-bromo-2,3-dihydro-1-benzofuran-4-ol (CID 131101542) is (3S)-3-amino-6-bromo-2,3-dihydro-1-benzofuran-4-ol.
What is the SMILES notation for (3S)-3-amino-6-bromo-2,3-dihydro-1-benzofuran-4-ol?
The canonical SMILES for (3S)-3-amino-6-bromo-2,3-dihydro-1-benzofuran-4-ol is N[C@@H]1COc2cc(Br)cc(O)c21.
What is the InChIKey of (3S)-3-amino-6-bromo-2,3-dihydro-1-benzofuran-4-ol?
The InChIKey is SVMOUICXXGFCCW-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H8BrNO2/c9-4-1-6(11)8-5(10)3-12-7(8)2-4/h1-2,5,11H,3,10H2/t5-/m1/s1.
What are the key properties of (3S)-3-amino-6-bromo-2,3-dihydro-1-benzofuran-4-ol?
(3S)-3-amino-6-bromo-2,3-dihydro-1-benzofuran-4-ol has a molecular weight of 230.06 g/mol, XLogP of 1.55, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-6-bromo-2,3-dihydro-1-benzofuran-4-ol is sourced from PubChem (CID 131101542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).