2-[2-(3-bromophenyl)-2-hydroxyethyl]sulfanylphenol

C14H13BrO2S — CID 141495071

IUPAC2-[2-(3-bromophenyl)-2-hydroxyethyl]sulfanylphenol
SMILESOc1ccccc1SCC(O)c1cccc(Br)c1
InChIInChI=1S/C14H13BrO2S/c15-11-5-3-4-10(8-11)13(17)9-18-14-7-2-1-6-12(14)16/h1-8,13,16-17H,9H2
InChIKeyNMOGQRUFJRNFON-UHFFFAOYSA-N
MW325.23 g/mol
LogP3.98
Rot. Bonds4

About 2-[2-(3-bromophenyl)-2-hydroxyethyl]sulfanylphenol

2-[2-(3-bromophenyl)-2-hydroxyethyl]sulfanylphenol (PubChem CID 141495071) has the molecular formula C14H13BrO2S and a molecular weight of 325.23 g/mol. Its IUPAC name is 2-[2-(3-bromophenyl)-2-hydroxyethyl]sulfanylphenol.

Molecular Properties

Compound Name2-[2-(3-bromophenyl)-2-hydroxyethyl]sulfanylphenol
PubChem CID141495071
Molecular FormulaC14H13BrO2S
Molecular Weight325.23 g/mol
Exact Mass323.98
IUPAC Name2-[2-(3-bromophenyl)-2-hydroxyethyl]sulfanylphenol
SMILESOc1ccccc1SCC(O)c1cccc(Br)c1
InChIInChI=1S/C14H13BrO2S/c15-11-5-3-4-10(8-11)13(17)9-18-14-7-2-1-6-12(14)16/h1-8,13,16-17H,9H2
InChIKeyNMOGQRUFJRNFON-UHFFFAOYSA-N
XLogP3.98
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.23
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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4-[2-(3-bromophenyl)-2-hydroxyethoxy]phenol
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(1R)-1-(3-bromophenyl)-2-(methylamino)ethanol
CID 39247726
1-(3-bromophenyl)-2-phenylselanylethanol
CID 175417994
2-(aziridin-1-yl)-1-(3-bromophenyl)ethanol
CID 82130110
1-(3-fluorophenyl)-2-(2-methylphenyl)sulfanylethanol
CID 61223548
1-(3-bromophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol
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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromophenyl)-2-hydroxyethyl]sulfanylphenol?
The IUPAC name of 2-[2-(3-bromophenyl)-2-hydroxyethyl]sulfanylphenol (CID 141495071) is 2-[2-(3-bromophenyl)-2-hydroxyethyl]sulfanylphenol.
What is the SMILES notation for 2-[2-(3-bromophenyl)-2-hydroxyethyl]sulfanylphenol?
The canonical SMILES for 2-[2-(3-bromophenyl)-2-hydroxyethyl]sulfanylphenol is Oc1ccccc1SCC(O)c1cccc(Br)c1.
What is the InChIKey of 2-[2-(3-bromophenyl)-2-hydroxyethyl]sulfanylphenol?
The InChIKey is NMOGQRUFJRNFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO2S/c15-11-5-3-4-10(8-11)13(17)9-18-14-7-2-1-6-12(14)16/h1-8,13,16-17H,9H2.
What are the key properties of 2-[2-(3-bromophenyl)-2-hydroxyethyl]sulfanylphenol?
2-[2-(3-bromophenyl)-2-hydroxyethyl]sulfanylphenol has a molecular weight of 325.23 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromophenyl)-2-hydroxyethyl]sulfanylphenol is sourced from PubChem (CID 141495071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).