(4-bromo-2,3-dihydro-1-benzofuran-7-yl) carbamate

C9H8BrNO3 — CID 175524233

IUPAC(4-bromo-2,3-dihydro-1-benzofuran-7-yl) carbamate
SMILESNC(=O)Oc1ccc(Br)c2c1OCC2
InChIInChI=1S/C9H8BrNO3/c10-6-1-2-7(14-9(11)12)8-5(6)3-4-13-8/h1-2H,3-4H2,(H2,11,12)
InChIKeyGNENHEPTBLWYFO-UHFFFAOYSA-N
MW258.07 g/mol
LogP1.84
Rot. Bonds1

About (4-bromo-2,3-dihydro-1-benzofuran-7-yl) carbamate

(4-bromo-2,3-dihydro-1-benzofuran-7-yl) carbamate (PubChem CID 175524233) has the molecular formula C9H8BrNO3 and a molecular weight of 258.07 g/mol. Its IUPAC name is (4-bromo-2,3-dihydro-1-benzofuran-7-yl) carbamate.

Molecular Properties

Compound Name(4-bromo-2,3-dihydro-1-benzofuran-7-yl) carbamate
PubChem CID175524233
Molecular FormulaC9H8BrNO3
Molecular Weight258.07 g/mol
Exact Mass256.97
IUPAC Name(4-bromo-2,3-dihydro-1-benzofuran-7-yl) carbamate
SMILESNC(=O)Oc1ccc(Br)c2c1OCC2
InChIInChI=1S/C9H8BrNO3/c10-6-1-2-7(14-9(11)12)8-5(6)3-4-13-8/h1-2H,3-4H2,(H2,11,12)
InChIKeyGNENHEPTBLWYFO-UHFFFAOYSA-N
XLogP1.84
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.07
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-6-yl)ethanone
CID 83903503
7-bromo-2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 83899521
methyl 7-bromo-2,3-dihydro-1-benzofuran-5-carboxylate
CID 131617097
(7-methoxy-2,3-dihydro-1-benzofuran-4-yl)methanamine
CID 84767883
6-bromo-5-fluoro-3,4-dihydroisochromen-1-one
CID 71270780
4-methoxy-2,3-dihydro-1-benzofuran-7-amine
CID 82373059
(5-bromo-6-fluoro-2-pyridinyl) carbamate
CID 146241183
7-bromo-6-methoxy-2,3-dihydro-1-benzofuran
CID 84692337
2-(4-bromo-5-methyl-2,3-dihydro-1-benzofuran-7-yl)acetamide
CID 175908737
3-amino-1-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 84808835
methyl 5-bromo-4-chloro-2,3-dihydro-1-benzofuran-7-carboxylate
CID 135377329
sodium 4-(7-methoxy-2,3-dihydro-1-benzofuran-4-yl)-4-oxobutanoate
CID 23691736

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,3-dihydro-1-benzofuran-7-yl) carbamate?
The IUPAC name of (4-bromo-2,3-dihydro-1-benzofuran-7-yl) carbamate (CID 175524233) is (4-bromo-2,3-dihydro-1-benzofuran-7-yl) carbamate.
What is the SMILES notation for (4-bromo-2,3-dihydro-1-benzofuran-7-yl) carbamate?
The canonical SMILES for (4-bromo-2,3-dihydro-1-benzofuran-7-yl) carbamate is NC(=O)Oc1ccc(Br)c2c1OCC2.
What is the InChIKey of (4-bromo-2,3-dihydro-1-benzofuran-7-yl) carbamate?
The InChIKey is GNENHEPTBLWYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNO3/c10-6-1-2-7(14-9(11)12)8-5(6)3-4-13-8/h1-2H,3-4H2,(H2,11,12).
What are the key properties of (4-bromo-2,3-dihydro-1-benzofuran-7-yl) carbamate?
(4-bromo-2,3-dihydro-1-benzofuran-7-yl) carbamate has a molecular weight of 258.07 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,3-dihydro-1-benzofuran-7-yl) carbamate is sourced from PubChem (CID 175524233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).