4-[(5-bromofuran-2-yl)methylsulfanyl]naphthalen-1-ol

C15H11BrO2S — CID 112596130

IUPAC4-[(5-bromofuran-2-yl)methylsulfanyl]naphthalen-1-ol
SMILESOc1ccc(SCc2ccc(Br)o2)c2ccccc12
InChIInChI=1S/C15H11BrO2S/c16-15-8-5-10(18-15)9-19-14-7-6-13(17)11-3-1-2-4-12(11)14/h1-8,17H,9H2
InChIKeyBEWCGCCLAUCWKD-UHFFFAOYSA-N
MW335.22 g/mol
LogP5.19
Rot. Bonds3

About 4-[(5-bromofuran-2-yl)methylsulfanyl]naphthalen-1-ol

4-[(5-bromofuran-2-yl)methylsulfanyl]naphthalen-1-ol (PubChem CID 112596130) has the molecular formula C15H11BrO2S and a molecular weight of 335.22 g/mol. Its IUPAC name is 4-[(5-bromofuran-2-yl)methylsulfanyl]naphthalen-1-ol.

Molecular Properties

Compound Name4-[(5-bromofuran-2-yl)methylsulfanyl]naphthalen-1-ol
PubChem CID112596130
Molecular FormulaC15H11BrO2S
Molecular Weight335.22 g/mol
Exact Mass333.97
IUPAC Name4-[(5-bromofuran-2-yl)methylsulfanyl]naphthalen-1-ol
SMILESOc1ccc(SCc2ccc(Br)o2)c2ccccc12
InChIInChI=1S/C15H11BrO2S/c16-15-8-5-10(18-15)9-19-14-7-6-13(17)11-3-1-2-4-12(11)14/h1-8,17H,9H2
InChIKeyBEWCGCCLAUCWKD-UHFFFAOYSA-N
XLogP5.19
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.22
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromofuran-2-yl)methylsulfanyl]naphthalen-1-ol?
The IUPAC name of 4-[(5-bromofuran-2-yl)methylsulfanyl]naphthalen-1-ol (CID 112596130) is 4-[(5-bromofuran-2-yl)methylsulfanyl]naphthalen-1-ol.
What is the SMILES notation for 4-[(5-bromofuran-2-yl)methylsulfanyl]naphthalen-1-ol?
The canonical SMILES for 4-[(5-bromofuran-2-yl)methylsulfanyl]naphthalen-1-ol is Oc1ccc(SCc2ccc(Br)o2)c2ccccc12.
What is the InChIKey of 4-[(5-bromofuran-2-yl)methylsulfanyl]naphthalen-1-ol?
The InChIKey is BEWCGCCLAUCWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrO2S/c16-15-8-5-10(18-15)9-19-14-7-6-13(17)11-3-1-2-4-12(11)14/h1-8,17H,9H2.
What are the key properties of 4-[(5-bromofuran-2-yl)methylsulfanyl]naphthalen-1-ol?
4-[(5-bromofuran-2-yl)methylsulfanyl]naphthalen-1-ol has a molecular weight of 335.22 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromofuran-2-yl)methylsulfanyl]naphthalen-1-ol is sourced from PubChem (CID 112596130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).