butane;4-(hydroxysulfanylmethyl)phenol

C11H18O2S — CID 174726296

IUPACbutane;4-(hydroxysulfanylmethyl)phenol
SMILESCCCC.OSCc1ccc(O)cc1
InChIInChI=1S/C7H8O2S.C4H10/c8-7-3-1-6(2-4-7)5-10-9;1-3-4-2/h1-4,8-9H,5H2;3-4H2,1-2H3
InChIKeyMCGNQEBJKUJZGM-UHFFFAOYSA-N
MW214.33 g/mol
LogP3.90
Rot. Bonds3

About butane;4-(hydroxysulfanylmethyl)phenol

butane;4-(hydroxysulfanylmethyl)phenol (PubChem CID 174726296) has the molecular formula C11H18O2S and a molecular weight of 214.33 g/mol. Its IUPAC name is butane;4-(hydroxysulfanylmethyl)phenol.

Molecular Properties

Compound Namebutane;4-(hydroxysulfanylmethyl)phenol
PubChem CID174726296
Molecular FormulaC11H18O2S
Molecular Weight214.33 g/mol
Exact Mass214.10
IUPAC Namebutane;4-(hydroxysulfanylmethyl)phenol
SMILESCCCC.OSCc1ccc(O)cc1
InChIInChI=1S/C7H8O2S.C4H10/c8-7-3-1-6(2-4-7)5-10-9;1-3-4-2/h1-4,8-9H,5H2;3-4H2,1-2H3
InChIKeyMCGNQEBJKUJZGM-UHFFFAOYSA-N
XLogP3.90
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

magnesium;4-ethylphenol;hydride
CID 174425334
sodium;4-ethylphenol;hydroxide
CID 160913882
4-butylphenol;tungsten
CID 174758928
lithium;4-butylphenol;hydride
CID 174758234
4-[2-(4-pentylphenyl)ethyl]phenol
CID 57152203
4-aminophenol;butane;methanamine
CID 145479199
4-[(4-hydroxyphenyl)methyl]phenol
CID 12111
tris(4-octylphenol);propane
CID 90866185
hydroxy-[(4-hydroxyphenyl)methylsulfanyl]-oxophosphanium
CID 174196737
CID 162318522
CID 162318522
nickel;4-octylphenol
CID 87833867
ethane;4-ethylphenol;formaldehyde
CID 131698499

Frequently Asked Questions

What is the IUPAC name of butane;4-(hydroxysulfanylmethyl)phenol?
The IUPAC name of butane;4-(hydroxysulfanylmethyl)phenol (CID 174726296) is butane;4-(hydroxysulfanylmethyl)phenol.
What is the SMILES notation for butane;4-(hydroxysulfanylmethyl)phenol?
The canonical SMILES for butane;4-(hydroxysulfanylmethyl)phenol is CCCC.OSCc1ccc(O)cc1.
What is the InChIKey of butane;4-(hydroxysulfanylmethyl)phenol?
The InChIKey is MCGNQEBJKUJZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2S.C4H10/c8-7-3-1-6(2-4-7)5-10-9;1-3-4-2/h1-4,8-9H,5H2;3-4H2,1-2H3.
What are the key properties of butane;4-(hydroxysulfanylmethyl)phenol?
butane;4-(hydroxysulfanylmethyl)phenol has a molecular weight of 214.33 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butane;4-(hydroxysulfanylmethyl)phenol is sourced from PubChem (CID 174726296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).