2,7-dimethoxy-10H-phenothiazin-3-ol

C14H13NO3S — CID 12605306

IUPAC2,7-dimethoxy-10H-phenothiazin-3-ol
SMILESCOc1ccc2c(c1)Sc1cc(O)c(OC)cc1N2
InChIInChI=1S/C14H13NO3S/c1-17-8-3-4-9-13(5-8)19-14-7-11(16)12(18-2)6-10(14)15-9/h3-7,15-16H,1-2H3
InChIKeyQUXASJYCJYYSFQ-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.62
Rot. Bonds2

About 2,7-dimethoxy-10H-phenothiazin-3-ol

2,7-dimethoxy-10H-phenothiazin-3-ol (PubChem CID 12605306) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is 2,7-dimethoxy-10H-phenothiazin-3-ol.

Molecular Properties

Compound Name2,7-dimethoxy-10H-phenothiazin-3-ol
PubChem CID12605306
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC Name2,7-dimethoxy-10H-phenothiazin-3-ol
SMILESCOc1ccc2c(c1)Sc1cc(O)c(OC)cc1N2
InChIInChI=1S/C14H13NO3S/c1-17-8-3-4-9-13(5-8)19-14-7-11(16)12(18-2)6-10(14)15-9/h3-7,15-16H,1-2H3
InChIKeyQUXASJYCJYYSFQ-UHFFFAOYSA-N
XLogP3.62
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethoxy-10H-phenothiazin-3-ol?
The IUPAC name of 2,7-dimethoxy-10H-phenothiazin-3-ol (CID 12605306) is 2,7-dimethoxy-10H-phenothiazin-3-ol.
What is the SMILES notation for 2,7-dimethoxy-10H-phenothiazin-3-ol?
The canonical SMILES for 2,7-dimethoxy-10H-phenothiazin-3-ol is COc1ccc2c(c1)Sc1cc(O)c(OC)cc1N2.
What is the InChIKey of 2,7-dimethoxy-10H-phenothiazin-3-ol?
The InChIKey is QUXASJYCJYYSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S/c1-17-8-3-4-9-13(5-8)19-14-7-11(16)12(18-2)6-10(14)15-9/h3-7,15-16H,1-2H3.
What are the key properties of 2,7-dimethoxy-10H-phenothiazin-3-ol?
2,7-dimethoxy-10H-phenothiazin-3-ol has a molecular weight of 275.33 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethoxy-10H-phenothiazin-3-ol is sourced from PubChem (CID 12605306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).