1-[(7-hydroxynaphthalen-1-yl)disulfanyl]naphthalen-2-ol

C20H14O2S2 — CID 124519274

IUPAC1-[(7-hydroxynaphthalen-1-yl)disulfanyl]naphthalen-2-ol
SMILESOc1ccc2cccc(SSc3c(O)ccc4ccccc34)c2c1
InChIInChI=1S/C20H14O2S2/c21-15-10-8-14-5-3-7-19(17(14)12-15)23-24-20-16-6-2-1-4-13(16)9-11-18(20)22/h1-12,21-22H
InChIKeyRWLWHDZILGAERE-UHFFFAOYSA-N
MW350.46 g/mol
LogP6.20
Rot. Bonds3

About 1-[(7-hydroxynaphthalen-1-yl)disulfanyl]naphthalen-2-ol

1-[(7-hydroxynaphthalen-1-yl)disulfanyl]naphthalen-2-ol (PubChem CID 124519274) has the molecular formula C20H14O2S2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 1-[(7-hydroxynaphthalen-1-yl)disulfanyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(7-hydroxynaphthalen-1-yl)disulfanyl]naphthalen-2-ol
PubChem CID124519274
Molecular FormulaC20H14O2S2
Molecular Weight350.46 g/mol
Exact Mass350.04
IUPAC Name1-[(7-hydroxynaphthalen-1-yl)disulfanyl]naphthalen-2-ol
SMILESOc1ccc2cccc(SSc3c(O)ccc4ccccc34)c2c1
InChIInChI=1S/C20H14O2S2/c21-15-10-8-14-5-3-7-19(17(14)12-15)23-24-20-16-6-2-1-4-13(16)9-11-18(20)22/h1-12,21-22H
InChIKeyRWLWHDZILGAERE-UHFFFAOYSA-N
XLogP6.20
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.46
LogP ≤ 56.20
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 1-[(7-hydroxynaphthalen-1-yl)disulfanyl]naphthalen-2-ol?
The IUPAC name of 1-[(7-hydroxynaphthalen-1-yl)disulfanyl]naphthalen-2-ol (CID 124519274) is 1-[(7-hydroxynaphthalen-1-yl)disulfanyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(7-hydroxynaphthalen-1-yl)disulfanyl]naphthalen-2-ol?
The canonical SMILES for 1-[(7-hydroxynaphthalen-1-yl)disulfanyl]naphthalen-2-ol is Oc1ccc2cccc(SSc3c(O)ccc4ccccc34)c2c1.
What is the InChIKey of 1-[(7-hydroxynaphthalen-1-yl)disulfanyl]naphthalen-2-ol?
The InChIKey is RWLWHDZILGAERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O2S2/c21-15-10-8-14-5-3-7-19(17(14)12-15)23-24-20-16-6-2-1-4-13(16)9-11-18(20)22/h1-12,21-22H.
What are the key properties of 1-[(7-hydroxynaphthalen-1-yl)disulfanyl]naphthalen-2-ol?
1-[(7-hydroxynaphthalen-1-yl)disulfanyl]naphthalen-2-ol has a molecular weight of 350.46 g/mol, XLogP of 6.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7-hydroxynaphthalen-1-yl)disulfanyl]naphthalen-2-ol is sourced from PubChem (CID 124519274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).