[2-[[2-(hydroxymethyl)phenyl]disulfanyl]phenyl]methanol

C14H14O2S2 — CID 816729

IUPAC[2-[[2-(hydroxymethyl)phenyl]disulfanyl]phenyl]methanol
SMILESOCc1ccccc1SSc1ccccc1CO
InChIInChI=1S/C14H14O2S2/c15-9-11-5-1-3-7-13(11)17-18-14-8-4-2-6-12(14)10-16/h1-8,15-16H,9-10H2
InChIKeyGBCUGUWBYDCGFX-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.47
Rot. Bonds5

About [2-[[2-(hydroxymethyl)phenyl]disulfanyl]phenyl]methanol

[2-[[2-(hydroxymethyl)phenyl]disulfanyl]phenyl]methanol (PubChem CID 816729) has the molecular formula C14H14O2S2 and a molecular weight of 278.40 g/mol. Its IUPAC name is [2-[[2-(hydroxymethyl)phenyl]disulfanyl]phenyl]methanol.

Molecular Properties

Compound Name[2-[[2-(hydroxymethyl)phenyl]disulfanyl]phenyl]methanol
PubChem CID816729
Molecular FormulaC14H14O2S2
Molecular Weight278.40 g/mol
Exact Mass278.04
IUPAC Name[2-[[2-(hydroxymethyl)phenyl]disulfanyl]phenyl]methanol
SMILESOCc1ccccc1SSc1ccccc1CO
InChIInChI=1S/C14H14O2S2/c15-9-11-5-1-3-7-13(11)17-18-14-8-4-2-6-12(14)10-16/h1-8,15-16H,9-10H2
InChIKeyGBCUGUWBYDCGFX-UHFFFAOYSA-N
XLogP3.47
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[[2-(hydroxymethyl)phenyl]disulfanyl]phenyl]methanol?
The IUPAC name of [2-[[2-(hydroxymethyl)phenyl]disulfanyl]phenyl]methanol (CID 816729) is [2-[[2-(hydroxymethyl)phenyl]disulfanyl]phenyl]methanol.
What is the SMILES notation for [2-[[2-(hydroxymethyl)phenyl]disulfanyl]phenyl]methanol?
The canonical SMILES for [2-[[2-(hydroxymethyl)phenyl]disulfanyl]phenyl]methanol is OCc1ccccc1SSc1ccccc1CO.
What is the InChIKey of [2-[[2-(hydroxymethyl)phenyl]disulfanyl]phenyl]methanol?
The InChIKey is GBCUGUWBYDCGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S2/c15-9-11-5-1-3-7-13(11)17-18-14-8-4-2-6-12(14)10-16/h1-8,15-16H,9-10H2.
What are the key properties of [2-[[2-(hydroxymethyl)phenyl]disulfanyl]phenyl]methanol?
[2-[[2-(hydroxymethyl)phenyl]disulfanyl]phenyl]methanol has a molecular weight of 278.40 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(hydroxymethyl)phenyl]disulfanyl]phenyl]methanol is sourced from PubChem (CID 816729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).