2-[bromo-(4-ethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran

C17H17BrO2 — CID 63437355

IUPAC2-[bromo-(4-ethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran
SMILESCCOc1ccc(C(Br)C2Cc3ccccc3O2)cc1
InChIInChI=1S/C17H17BrO2/c1-2-19-14-9-7-12(8-10-14)17(18)16-11-13-5-3-4-6-15(13)20-16/h3-10,16-17H,2,11H2,1H3
InChIKeyBTVNBPWQWUTGHX-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.53
Rot. Bonds4

About 2-[bromo-(4-ethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran

2-[bromo-(4-ethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran (PubChem CID 63437355) has the molecular formula C17H17BrO2 and a molecular weight of 333.23 g/mol. Its IUPAC name is 2-[bromo-(4-ethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name2-[bromo-(4-ethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran
PubChem CID63437355
Molecular FormulaC17H17BrO2
Molecular Weight333.23 g/mol
Exact Mass332.04
IUPAC Name2-[bromo-(4-ethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran
SMILESCCOc1ccc(C(Br)C2Cc3ccccc3O2)cc1
InChIInChI=1S/C17H17BrO2/c1-2-19-14-9-7-12(8-10-14)17(18)16-11-13-5-3-4-6-15(13)20-16/h3-10,16-17H,2,11H2,1H3
InChIKeyBTVNBPWQWUTGHX-UHFFFAOYSA-N
XLogP4.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[bromo(phenyl)methyl]-2,3-dihydro-1-benzofuran
CID 61084687
2-[bromo-(5-bromo-2-ethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 63442871
2-[bromo-(4-methoxy-3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 63442838
3,4-dihydro-2H-1,5-benzodioxepin-4-yl-(4-ethoxyphenyl)methanamine
CID 82527478
2,3-dihydro-1,4-benzoxathiin-2-yl-(4-ethoxyphenyl)methanol
CID 106600903
N-(4-ethoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18089338
2-[bromo-(2,4-difluoro-5-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 79730864
1-[4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]ethanol
CID 66364563
3-[bromo-(4-ethoxyphenyl)methyl]-2-methyloxolane
CID 79763438
2-[(4-butan-2-ylphenyl)-chloromethyl]-2,3-dihydro-1-benzofuran
CID 63430500
2,3-dihydro-1-benzofuran-2-yl-(2-propoxyphenyl)methanol
CID 104659715
2-[(2-bromo-4-methoxyphenyl)-chloromethyl]-2,3-dihydro-1-benzofuran
CID 63435447

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(4-ethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 2-[bromo-(4-ethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran (CID 63437355) is 2-[bromo-(4-ethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 2-[bromo-(4-ethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 2-[bromo-(4-ethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran is CCOc1ccc(C(Br)C2Cc3ccccc3O2)cc1.
What is the InChIKey of 2-[bromo-(4-ethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran?
The InChIKey is BTVNBPWQWUTGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO2/c1-2-19-14-9-7-12(8-10-14)17(18)16-11-13-5-3-4-6-15(13)20-16/h3-10,16-17H,2,11H2,1H3.
What are the key properties of 2-[bromo-(4-ethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran?
2-[bromo-(4-ethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran has a molecular weight of 333.23 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(4-ethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 63437355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).