[4-(4-nitrophenyl)sulfanylphenyl]methanol

C13H11NO3S — CID 63835646

IUPAC[4-(4-nitrophenyl)sulfanylphenyl]methanol
SMILESO=[N+]([O-])c1ccc(Sc2ccc(CO)cc2)cc1
InChIInChI=1S/C13H11NO3S/c15-9-10-1-5-12(6-2-10)18-13-7-3-11(4-8-13)14(16)17/h1-8,15H,9H2
InChIKeyFHOXOBJIPRNPAC-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.24
Rot. Bonds4

About [4-(4-nitrophenyl)sulfanylphenyl]methanol

[4-(4-nitrophenyl)sulfanylphenyl]methanol (PubChem CID 63835646) has the molecular formula C13H11NO3S and a molecular weight of 261.30 g/mol. Its IUPAC name is [4-(4-nitrophenyl)sulfanylphenyl]methanol.

Molecular Properties

Compound Name[4-(4-nitrophenyl)sulfanylphenyl]methanol
PubChem CID63835646
Molecular FormulaC13H11NO3S
Molecular Weight261.30 g/mol
Exact Mass261.05
IUPAC Name[4-(4-nitrophenyl)sulfanylphenyl]methanol
SMILESO=[N+]([O-])c1ccc(Sc2ccc(CO)cc2)cc1
InChIInChI=1S/C13H11NO3S/c15-9-10-1-5-12(6-2-10)18-13-7-3-11(4-8-13)14(16)17/h1-8,15H,9H2
InChIKeyFHOXOBJIPRNPAC-UHFFFAOYSA-N
XLogP3.24
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [4-(4-nitrophenyl)sulfanylphenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-nitro-4-(4-nitrophenyl)sulfanylbenzene
CID 14655
[4-[(4-nitrophenyl)methyl]phenyl]methanol
CID 118428999
[4-[(4-nitrophenyl)methylsulfanylmethyl]phenyl]methanol
CID 83518630
nitrobenzene;phenylmethanol
CID 160558550
1-[4-(4-bromophenyl)sulfanylphenyl]sulfanyl-4-nitrobenzene
CID 11774413
1-nitro-4-[4-[4-(4-nitrophenyl)sulfanylphenyl]sulfonylphenyl]sulfanylbenzene
CID 71326517
N-[[4-(4-nitrophenyl)sulfanylphenyl]methyl]cyclopropanamine
CID 63808521
dideuterio-(4-nitrophenyl)methanol
CID 10241023
N-[4-(hydroxymethyl)phenyl]-2-(4-nitrophenyl)acetamide
CID 64793021
hydron;2-(4-nitrophenyl)ethanol
CID 131851380
1-(hydroxysulfanylmethyl)-4-nitrobenzene
CID 163691163
[5-fluoro-2-(4-nitrophenyl)sulfanylphenyl]methanol
CID 63813424

Frequently Asked Questions

What is the IUPAC name of [4-(4-nitrophenyl)sulfanylphenyl]methanol?
The IUPAC name of [4-(4-nitrophenyl)sulfanylphenyl]methanol (CID 63835646) is [4-(4-nitrophenyl)sulfanylphenyl]methanol.
What is the SMILES notation for [4-(4-nitrophenyl)sulfanylphenyl]methanol?
The canonical SMILES for [4-(4-nitrophenyl)sulfanylphenyl]methanol is O=[N+]([O-])c1ccc(Sc2ccc(CO)cc2)cc1.
What is the InChIKey of [4-(4-nitrophenyl)sulfanylphenyl]methanol?
The InChIKey is FHOXOBJIPRNPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3S/c15-9-10-1-5-12(6-2-10)18-13-7-3-11(4-8-13)14(16)17/h1-8,15H,9H2.
What are the key properties of [4-(4-nitrophenyl)sulfanylphenyl]methanol?
[4-(4-nitrophenyl)sulfanylphenyl]methanol has a molecular weight of 261.30 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-nitrophenyl)sulfanylphenyl]methanol is sourced from PubChem (CID 63835646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).