4-hydroxy-6-methyl-1-(phenoxysulfinylamino)naphthalene

C17H15NO3S — CID 20665747

IUPAC4-hydroxy-6-methyl-1-(phenoxysulfinylamino)naphthalene
SMILESCc1ccc2c(NS(=O)Oc3ccccc3)ccc(O)c2c1
InChIInChI=1S/C17H15NO3S/c1-12-7-8-14-15(11-12)17(19)10-9-16(14)18-22(20)21-13-5-3-2-4-6-13/h2-11,18-19H,1H3
InChIKeyAHNZHDLMTYXJSI-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.92
Rot. Bonds4

About 4-hydroxy-6-methyl-1-(phenoxysulfinylamino)naphthalene

4-hydroxy-6-methyl-1-(phenoxysulfinylamino)naphthalene (PubChem CID 20665747) has the molecular formula C17H15NO3S and a molecular weight of 313.38 g/mol. Its IUPAC name is 4-hydroxy-6-methyl-1-(phenoxysulfinylamino)naphthalene.

Molecular Properties

Compound Name4-hydroxy-6-methyl-1-(phenoxysulfinylamino)naphthalene
PubChem CID20665747
Molecular FormulaC17H15NO3S
Molecular Weight313.38 g/mol
Exact Mass313.08
IUPAC Name4-hydroxy-6-methyl-1-(phenoxysulfinylamino)naphthalene
SMILESCc1ccc2c(NS(=O)Oc3ccccc3)ccc(O)c2c1
InChIInChI=1S/C17H15NO3S/c1-12-7-8-14-15(11-12)17(19)10-9-16(14)18-22(20)21-13-5-3-2-4-6-13/h2-11,18-19H,1H3
InChIKeyAHNZHDLMTYXJSI-UHFFFAOYSA-N
XLogP3.92
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.92
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 4-hydroxy-6-methyl-1-(phenoxysulfinylamino)naphthalene?
The IUPAC name of 4-hydroxy-6-methyl-1-(phenoxysulfinylamino)naphthalene (CID 20665747) is 4-hydroxy-6-methyl-1-(phenoxysulfinylamino)naphthalene.
What is the SMILES notation for 4-hydroxy-6-methyl-1-(phenoxysulfinylamino)naphthalene?
The canonical SMILES for 4-hydroxy-6-methyl-1-(phenoxysulfinylamino)naphthalene is Cc1ccc2c(NS(=O)Oc3ccccc3)ccc(O)c2c1.
What is the InChIKey of 4-hydroxy-6-methyl-1-(phenoxysulfinylamino)naphthalene?
The InChIKey is AHNZHDLMTYXJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3S/c1-12-7-8-14-15(11-12)17(19)10-9-16(14)18-22(20)21-13-5-3-2-4-6-13/h2-11,18-19H,1H3.
What are the key properties of 4-hydroxy-6-methyl-1-(phenoxysulfinylamino)naphthalene?
4-hydroxy-6-methyl-1-(phenoxysulfinylamino)naphthalene has a molecular weight of 313.38 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-methyl-1-(phenoxysulfinylamino)naphthalene is sourced from PubChem (CID 20665747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).