(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl) formate

C10H9BrO3 — CID 167236076

IUPAC(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl) formate
SMILESCC1Cc2cc(OC=O)cc(Br)c2O1
InChIInChI=1S/C10H9BrO3/c1-6-2-7-3-8(13-5-12)4-9(11)10(7)14-6/h3-6H,2H2,1H3
InChIKeyIVOKZMPKGXNGHM-UHFFFAOYSA-N
MW257.08 g/mol
LogP2.31
Rot. Bonds2

About (7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl) formate

(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl) formate (PubChem CID 167236076) has the molecular formula C10H9BrO3 and a molecular weight of 257.08 g/mol. Its IUPAC name is (7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl) formate.

Molecular Properties

Compound Name(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl) formate
PubChem CID167236076
Molecular FormulaC10H9BrO3
Molecular Weight257.08 g/mol
Exact Mass255.97
IUPAC Name(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl) formate
SMILESCC1Cc2cc(OC=O)cc(Br)c2O1
InChIInChI=1S/C10H9BrO3/c1-6-2-7-3-8(13-5-12)4-9(11)10(7)14-6/h3-6H,2H2,1H3
InChIKeyIVOKZMPKGXNGHM-UHFFFAOYSA-N
XLogP2.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.08
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine
CID 84809035
5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-7-carbaldehyde
CID 47002539
3-(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)propanoic acid
CID 84813255
2-[1-(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclopropyl]acetic acid
CID 117495961
3-(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)piperidine
CID 117477291
2-(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)morpholine
CID 117479951
4-[(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine
CID 117495209
5-methoxy-2-methyl-6,7-dinitro-2,3-dihydro-1-benzofuran
CID 4653208
2-methyl-2,3-dihydro-1-benzofuran-5-amine;methyl formate
CID 142030949
4-bromo-7-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-6-carbaldehyde
CID 83901384
7-bromo-6-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 83903921
7-(2,5-dichlorophenyl)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran
CID 69107948

Frequently Asked Questions

What is the IUPAC name of (7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl) formate?
The IUPAC name of (7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl) formate (CID 167236076) is (7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl) formate.
What is the SMILES notation for (7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl) formate?
The canonical SMILES for (7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl) formate is CC1Cc2cc(OC=O)cc(Br)c2O1.
What is the InChIKey of (7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl) formate?
The InChIKey is IVOKZMPKGXNGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrO3/c1-6-2-7-3-8(13-5-12)4-9(11)10(7)14-6/h3-6H,2H2,1H3.
What are the key properties of (7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl) formate?
(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl) formate has a molecular weight of 257.08 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl) formate is sourced from PubChem (CID 167236076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).