4-[[4-[(hydroxyamino)methyl]phenyl]methylsulfanyl]phenol

C14H15NO2S — CID 88915543

IUPAC4-[[4-[(hydroxyamino)methyl]phenyl]methylsulfanyl]phenol
SMILESONCc1ccc(CSc2ccc(O)cc2)cc1
InChIInChI=1S/C14H15NO2S/c16-13-5-7-14(8-6-13)18-10-12-3-1-11(2-4-12)9-15-17/h1-8,15-17H,9-10H2
InChIKeyJOXSGFLZIICBGJ-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.16
Rot. Bonds5

About 4-[[4-[(hydroxyamino)methyl]phenyl]methylsulfanyl]phenol

4-[[4-[(hydroxyamino)methyl]phenyl]methylsulfanyl]phenol (PubChem CID 88915543) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 4-[[4-[(hydroxyamino)methyl]phenyl]methylsulfanyl]phenol.

Molecular Properties

Compound Name4-[[4-[(hydroxyamino)methyl]phenyl]methylsulfanyl]phenol
PubChem CID88915543
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name4-[[4-[(hydroxyamino)methyl]phenyl]methylsulfanyl]phenol
SMILESONCc1ccc(CSc2ccc(O)cc2)cc1
InChIInChI=1S/C14H15NO2S/c16-13-5-7-14(8-6-13)18-10-12-3-1-11(2-4-12)9-15-17/h1-8,15-17H,9-10H2
InChIKeyJOXSGFLZIICBGJ-UHFFFAOYSA-N
XLogP3.16
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-hydroxyphenyl)sulfanylmethyl]benzonitrile
CID 47262874
4-(naphthalen-2-ylmethylsulfanyl)phenol
CID 175432279
4-[(4-hydroxyphenyl)sulfanylmethylsulfanyl]phenol
CID 14794071
4-[(3-bromo-4-methoxyphenyl)methylsulfanyl]phenol
CID 54970698
N-[(4-benzylsulfanylphenyl)methyl]propan-1-amine
CID 63805583
trifluoro-[(4-hydroxyphenyl)sulfanylmethyl]boranuide
CID 63703679
N-[[4-[amino-[4-[(hydroxyamino)methyl]phenyl]methyl]phenyl]methyl]hydroxylamine
CID 19038496
[4-(phenylsulfanylmethyl)phenyl]methanol
CID 59255239
1,4-bis[(4-ethenylphenyl)methylsulfanyl]benzene
CID 14745002
N-hydroxy-4-(phenylsulfanylmethyl)benzamide
CID 135365964
N'-[4-[(4-chlorophenyl)methylsulfanyl]phenyl]-N-hydroxymethanimidamide
CID 20763364
N-(4-ethylphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 47262869

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(hydroxyamino)methyl]phenyl]methylsulfanyl]phenol?
The IUPAC name of 4-[[4-[(hydroxyamino)methyl]phenyl]methylsulfanyl]phenol (CID 88915543) is 4-[[4-[(hydroxyamino)methyl]phenyl]methylsulfanyl]phenol.
What is the SMILES notation for 4-[[4-[(hydroxyamino)methyl]phenyl]methylsulfanyl]phenol?
The canonical SMILES for 4-[[4-[(hydroxyamino)methyl]phenyl]methylsulfanyl]phenol is ONCc1ccc(CSc2ccc(O)cc2)cc1.
What is the InChIKey of 4-[[4-[(hydroxyamino)methyl]phenyl]methylsulfanyl]phenol?
The InChIKey is JOXSGFLZIICBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c16-13-5-7-14(8-6-13)18-10-12-3-1-11(2-4-12)9-15-17/h1-8,15-17H,9-10H2.
What are the key properties of 4-[[4-[(hydroxyamino)methyl]phenyl]methylsulfanyl]phenol?
4-[[4-[(hydroxyamino)methyl]phenyl]methylsulfanyl]phenol has a molecular weight of 261.35 g/mol, XLogP of 3.16, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(hydroxyamino)methyl]phenyl]methylsulfanyl]phenol is sourced from PubChem (CID 88915543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).