6-[(4-bromo-2-chlorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-ol

C15H12BrClO3 — CID 115690780

IUPAC6-[(4-bromo-2-chlorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-ol
SMILESOC1COc2cc(OCc3ccc(Br)cc3Cl)ccc21
InChIInChI=1S/C15H12BrClO3/c16-10-2-1-9(13(17)5-10)7-19-11-3-4-12-14(18)8-20-15(12)6-11/h1-6,14,18H,7-8H2
InChIKeyQWVWLPDRWASHSI-UHFFFAOYSA-N
MW355.62 g/mol
LogP4.11
Rot. Bonds3

About 6-[(4-bromo-2-chlorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-ol

6-[(4-bromo-2-chlorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-ol (PubChem CID 115690780) has the molecular formula C15H12BrClO3 and a molecular weight of 355.62 g/mol. Its IUPAC name is 6-[(4-bromo-2-chlorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-ol.

Molecular Properties

Compound Name6-[(4-bromo-2-chlorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-ol
PubChem CID115690780
Molecular FormulaC15H12BrClO3
Molecular Weight355.62 g/mol
Exact Mass353.97
IUPAC Name6-[(4-bromo-2-chlorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-ol
SMILESOC1COc2cc(OCc3ccc(Br)cc3Cl)ccc21
InChIInChI=1S/C15H12BrClO3/c16-10-2-1-9(13(17)5-10)7-19-11-3-4-12-14(18)8-20-15(12)6-11/h1-6,14,18H,7-8H2
InChIKeyQWVWLPDRWASHSI-UHFFFAOYSA-N
XLogP4.11
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.62
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[2-(4-bromophenoxy)ethoxy]-2,3-dihydro-1-benzofuran-3-ol
CID 63096773
6-[(4-chlorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-ol
CID 55178381
6-[(5-chloro-2-methoxyphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-ol
CID 63096617
6-[(3-chlorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-ol
CID 63097123
6-ethoxy-2,3-dihydro-1-benzofuran-3-ol
CID 63096598
4-fluoro-2-[(3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)oxymethyl]benzonitrile
CID 103760042
6-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2,3-dihydro-1-benzofuran-3-ol
CID 55177806
6-(3-fluoropropoxy)-2,3-dihydro-1-benzofuran-3-ol
CID 81113494
1-[(3S)-6-[(2,4-dichlorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]butan-2-one
CID 158302831
6-[(5-bromo-2-methoxyphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine
CID 63096189
6-but-2-ynoxy-2,3-dihydro-1-benzofuran-3-ol
CID 63096948
6-(3,3,3-trifluoropropoxy)-2,3-dihydro-1-benzofuran-3-ol
CID 64566719

Frequently Asked Questions

What is the IUPAC name of 6-[(4-bromo-2-chlorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-ol?
The IUPAC name of 6-[(4-bromo-2-chlorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-ol (CID 115690780) is 6-[(4-bromo-2-chlorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-ol.
What is the SMILES notation for 6-[(4-bromo-2-chlorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-ol?
The canonical SMILES for 6-[(4-bromo-2-chlorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-ol is OC1COc2cc(OCc3ccc(Br)cc3Cl)ccc21.
What is the InChIKey of 6-[(4-bromo-2-chlorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-ol?
The InChIKey is QWVWLPDRWASHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClO3/c16-10-2-1-9(13(17)5-10)7-19-11-3-4-12-14(18)8-20-15(12)6-11/h1-6,14,18H,7-8H2.
What are the key properties of 6-[(4-bromo-2-chlorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-ol?
6-[(4-bromo-2-chlorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-ol has a molecular weight of 355.62 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-bromo-2-chlorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-ol is sourced from PubChem (CID 115690780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).