6-hydroxy-6-sulfanylidenebenzo[d][1,3,2]benzodioxaphosphepine

C12H9O3PS — CID 6914045

IUPAC6-hydroxy-6-sulfanylidenebenzo[d][1,3,2]benzodioxaphosphepine
SMILESOP1(=S)Oc2ccccc2-c2ccccc2O1
InChIInChI=1S/C12H9O3PS/c13-16(17)14-11-7-3-1-5-9(11)10-6-2-4-8-12(10)15-16/h1-8H,(H,13,17)
InChIKeyGQZWFOQUTCHWHX-UHFFFAOYSA-N
MW264.24 g/mol
LogP3.34
Rot. Bonds

About 6-hydroxy-6-sulfanylidenebenzo[d][1,3,2]benzodioxaphosphepine

6-hydroxy-6-sulfanylidenebenzo[d][1,3,2]benzodioxaphosphepine (PubChem CID 6914045) has the molecular formula C12H9O3PS and a molecular weight of 264.24 g/mol. Its IUPAC name is 6-hydroxy-6-sulfanylidenebenzo[d][1,3,2]benzodioxaphosphepine.

Molecular Properties

Compound Name6-hydroxy-6-sulfanylidenebenzo[d][1,3,2]benzodioxaphosphepine
PubChem CID6914045
Molecular FormulaC12H9O3PS
Molecular Weight264.24 g/mol
Exact Mass264.00
IUPAC Name6-hydroxy-6-sulfanylidenebenzo[d][1,3,2]benzodioxaphosphepine
SMILESOP1(=S)Oc2ccccc2-c2ccccc2O1
InChIInChI=1S/C12H9O3PS/c13-16(17)14-11-7-3-1-5-9(11)10-6-2-4-8-12(10)15-16/h1-8H,(H,13,17)
InChIKeyGQZWFOQUTCHWHX-UHFFFAOYSA-N
XLogP3.34
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1,1'-Biphenyl)-2-ol
CID 7017
SODIUM o-PHENYLPHENOL
CID 23675735
(1,1'-Biphenyl)-2,2'-diol
CID 15731
Bis(isopropylphenyl) phenyl phosphate
CID 34149
Isopropylphenyl diphenyl phosphate
CID 34148
E232
CID 517383
2-Benzylphenol
CID 24216
Tri-o-cresyl phosphite
CID 92937
O,O-Ditolyl phosphorodithioate
CID 162177
Butylated triphenyl phosphate
CID 5489265
Bis(2-methylphenyl) phosphorochloridate
CID 246668
Potassium o-phenylphenate
CID 23686122

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-6-sulfanylidenebenzo[d][1,3,2]benzodioxaphosphepine?
The IUPAC name of 6-hydroxy-6-sulfanylidenebenzo[d][1,3,2]benzodioxaphosphepine (CID 6914045) is 6-hydroxy-6-sulfanylidenebenzo[d][1,3,2]benzodioxaphosphepine.
What is the SMILES notation for 6-hydroxy-6-sulfanylidenebenzo[d][1,3,2]benzodioxaphosphepine?
The canonical SMILES for 6-hydroxy-6-sulfanylidenebenzo[d][1,3,2]benzodioxaphosphepine is OP1(=S)Oc2ccccc2-c2ccccc2O1.
What is the InChIKey of 6-hydroxy-6-sulfanylidenebenzo[d][1,3,2]benzodioxaphosphepine?
The InChIKey is GQZWFOQUTCHWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9O3PS/c13-16(17)14-11-7-3-1-5-9(11)10-6-2-4-8-12(10)15-16/h1-8H,(H,13,17).
What are the key properties of 6-hydroxy-6-sulfanylidenebenzo[d][1,3,2]benzodioxaphosphepine?
6-hydroxy-6-sulfanylidenebenzo[d][1,3,2]benzodioxaphosphepine has a molecular weight of 264.24 g/mol, XLogP of 3.34, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-6-sulfanylidenebenzo[d][1,3,2]benzodioxaphosphepine is sourced from PubChem (CID 6914045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).