6-[2-(4-bromophenoxy)ethoxy]-2,3-dihydro-1-benzofuran-3-ol

C16H15BrO4 — CID 63096773

IUPAC6-[2-(4-bromophenoxy)ethoxy]-2,3-dihydro-1-benzofuran-3-ol
SMILESOC1COc2cc(OCCOc3ccc(Br)cc3)ccc21
InChIInChI=1S/C16H15BrO4/c17-11-1-3-12(4-2-11)19-7-8-20-13-5-6-14-15(18)10-21-16(14)9-13/h1-6,9,15,18H,7-8,10H2
InChIKeyICILYOGZAMCSHJ-UHFFFAOYSA-N
MW351.20 g/mol
LogP3.33
Rot. Bonds5

About 6-[2-(4-bromophenoxy)ethoxy]-2,3-dihydro-1-benzofuran-3-ol

6-[2-(4-bromophenoxy)ethoxy]-2,3-dihydro-1-benzofuran-3-ol (PubChem CID 63096773) has the molecular formula C16H15BrO4 and a molecular weight of 351.20 g/mol. Its IUPAC name is 6-[2-(4-bromophenoxy)ethoxy]-2,3-dihydro-1-benzofuran-3-ol.

Molecular Properties

Compound Name6-[2-(4-bromophenoxy)ethoxy]-2,3-dihydro-1-benzofuran-3-ol
PubChem CID63096773
Molecular FormulaC16H15BrO4
Molecular Weight351.20 g/mol
Exact Mass350.02
IUPAC Name6-[2-(4-bromophenoxy)ethoxy]-2,3-dihydro-1-benzofuran-3-ol
SMILESOC1COc2cc(OCCOc3ccc(Br)cc3)ccc21
InChIInChI=1S/C16H15BrO4/c17-11-1-3-12(4-2-11)19-7-8-20-13-5-6-14-15(18)10-21-16(14)9-13/h1-6,9,15,18H,7-8,10H2
InChIKeyICILYOGZAMCSHJ-UHFFFAOYSA-N
XLogP3.33
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(3-fluoropropoxy)-2,3-dihydro-1-benzofuran-3-ol
CID 81113494
6-ethoxy-2,3-dihydro-1-benzofuran-3-ol
CID 63096598
6-(3,3,3-trifluoropropoxy)-2,3-dihydro-1-benzofuran-3-ol
CID 64566719
6-[(4-bromo-2-chlorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-ol
CID 115690780
6-methoxy-2,3-dihydro-1-benzofuran-3-ol
CID 63096800
6-but-2-ynoxy-2,3-dihydro-1-benzofuran-3-ol
CID 63096948
5-[(3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)oxy]-2,2-dimethylpentanenitrile
CID 65255933
6-[2-(1-methylpyrazol-4-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-ol
CID 103749474
6-[(4-chlorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-ol
CID 55178381
6-(3-phenylprop-2-ynoxy)-2,3-dihydro-1-benzofuran-3-ol
CID 63096784
6-(3,3,3-trifluoro-2-hydroxypropoxy)-2,3-dihydro-1-benzofuran-3-ol
CID 63901709
2-[1-[(3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)oxymethyl]cyclopropyl]acetonitrile
CID 65498641

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-bromophenoxy)ethoxy]-2,3-dihydro-1-benzofuran-3-ol?
The IUPAC name of 6-[2-(4-bromophenoxy)ethoxy]-2,3-dihydro-1-benzofuran-3-ol (CID 63096773) is 6-[2-(4-bromophenoxy)ethoxy]-2,3-dihydro-1-benzofuran-3-ol.
What is the SMILES notation for 6-[2-(4-bromophenoxy)ethoxy]-2,3-dihydro-1-benzofuran-3-ol?
The canonical SMILES for 6-[2-(4-bromophenoxy)ethoxy]-2,3-dihydro-1-benzofuran-3-ol is OC1COc2cc(OCCOc3ccc(Br)cc3)ccc21.
What is the InChIKey of 6-[2-(4-bromophenoxy)ethoxy]-2,3-dihydro-1-benzofuran-3-ol?
The InChIKey is ICILYOGZAMCSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO4/c17-11-1-3-12(4-2-11)19-7-8-20-13-5-6-14-15(18)10-21-16(14)9-13/h1-6,9,15,18H,7-8,10H2.
What are the key properties of 6-[2-(4-bromophenoxy)ethoxy]-2,3-dihydro-1-benzofuran-3-ol?
6-[2-(4-bromophenoxy)ethoxy]-2,3-dihydro-1-benzofuran-3-ol has a molecular weight of 351.20 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-bromophenoxy)ethoxy]-2,3-dihydro-1-benzofuran-3-ol is sourced from PubChem (CID 63096773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).