2-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]phenol

C15H13BrO2S — CID 66361038

IUPAC2-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]phenol
SMILESOc1ccccc1SCC1Cc2cc(Br)ccc2O1
InChIInChI=1S/C15H13BrO2S/c16-11-5-6-14-10(7-11)8-12(18-14)9-19-15-4-2-1-3-13(15)17/h1-7,12,17H,8-9H2
InChIKeyFKSVQYXFLMPALI-UHFFFAOYSA-N
MW337.24 g/mol
LogP4.25
Rot. Bonds3

About 2-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]phenol

2-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]phenol (PubChem CID 66361038) has the molecular formula C15H13BrO2S and a molecular weight of 337.24 g/mol. Its IUPAC name is 2-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]phenol.

Molecular Properties

Compound Name2-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]phenol
PubChem CID66361038
Molecular FormulaC15H13BrO2S
Molecular Weight337.24 g/mol
Exact Mass335.98
IUPAC Name2-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]phenol
SMILESOc1ccccc1SCC1Cc2cc(Br)ccc2O1
InChIInChI=1S/C15H13BrO2S/c16-11-5-6-14-10(7-11)8-12(18-14)9-19-15-4-2-1-3-13(15)17/h1-7,12,17H,8-9H2
InChIKeyFKSVQYXFLMPALI-UHFFFAOYSA-N
XLogP4.25
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-5-bromo-2,3-dihydro-1-benzofuran-2-yl]methanol
CID 86326706
2-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]-4-methylaniline
CID 79142409
4-bromo-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]aniline
CID 79533799
4-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]thiophene-2-carboxylic acid
CID 79140147
2-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]pyridine-4-carboxylic acid
CID 66362290
[2-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol
CID 66362374
2-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]butanoic acid
CID 105352678
2-[5-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]tetrazol-1-yl]acetic acid
CID 66360748
2-[2-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]-1,3-thiazol-4-yl]acetic acid
CID 66359979
1-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidine-3,4-diol
CID 106672365
2-[1-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylsulfanylmethyl]cyclopropyl]acetic acid
CID 66360555
5-fluoro-2-(phenylsulfanylmethyl)-2,3-dihydro-1-benzofuran
CID 147180543

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]phenol?
The IUPAC name of 2-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]phenol (CID 66361038) is 2-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]phenol.
What is the SMILES notation for 2-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]phenol?
The canonical SMILES for 2-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]phenol is Oc1ccccc1SCC1Cc2cc(Br)ccc2O1.
What is the InChIKey of 2-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]phenol?
The InChIKey is FKSVQYXFLMPALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO2S/c16-11-5-6-14-10(7-11)8-12(18-14)9-19-15-4-2-1-3-13(15)17/h1-7,12,17H,8-9H2.
What are the key properties of 2-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]phenol?
2-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]phenol has a molecular weight of 337.24 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]phenol is sourced from PubChem (CID 66361038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).