2-phenylsulfanylnaphthalene-1,4-diol

C16H12O2S — CID 15508792

IUPAC2-phenylsulfanylnaphthalene-1,4-diol
SMILESOc1cc(Sc2ccccc2)c(O)c2ccccc12
InChIInChI=1S/C16H12O2S/c17-14-10-15(19-11-6-2-1-3-7-11)16(18)13-9-5-4-8-12(13)14/h1-10,17-18H
InChIKeyLKONSFOSRSFVPH-UHFFFAOYSA-N
MW268.34 g/mol
LogP4.40
Rot. Bonds2

About 2-phenylsulfanylnaphthalene-1,4-diol

2-phenylsulfanylnaphthalene-1,4-diol (PubChem CID 15508792) has the molecular formula C16H12O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-phenylsulfanylnaphthalene-1,4-diol.

Molecular Properties

Compound Name2-phenylsulfanylnaphthalene-1,4-diol
PubChem CID15508792
Molecular FormulaC16H12O2S
Molecular Weight268.34 g/mol
Exact Mass268.06
IUPAC Name2-phenylsulfanylnaphthalene-1,4-diol
SMILESOc1cc(Sc2ccccc2)c(O)c2ccccc12
InChIInChI=1S/C16H12O2S/c17-14-10-15(19-11-6-2-1-3-7-11)16(18)13-9-5-4-8-12(13)14/h1-10,17-18H
InChIKeyLKONSFOSRSFVPH-UHFFFAOYSA-N
XLogP4.40
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanylnaphthalene-1,4-diol?
The IUPAC name of 2-phenylsulfanylnaphthalene-1,4-diol (CID 15508792) is 2-phenylsulfanylnaphthalene-1,4-diol.
What is the SMILES notation for 2-phenylsulfanylnaphthalene-1,4-diol?
The canonical SMILES for 2-phenylsulfanylnaphthalene-1,4-diol is Oc1cc(Sc2ccccc2)c(O)c2ccccc12.
What is the InChIKey of 2-phenylsulfanylnaphthalene-1,4-diol?
The InChIKey is LKONSFOSRSFVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O2S/c17-14-10-15(19-11-6-2-1-3-7-11)16(18)13-9-5-4-8-12(13)14/h1-10,17-18H.
What are the key properties of 2-phenylsulfanylnaphthalene-1,4-diol?
2-phenylsulfanylnaphthalene-1,4-diol has a molecular weight of 268.34 g/mol, XLogP of 4.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanylnaphthalene-1,4-diol is sourced from PubChem (CID 15508792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).