3-[(1-methylcyclobutyl)methylsulfanyl]phenol

C12H16OS — CID 130601685

IUPAC3-[(1-methylcyclobutyl)methylsulfanyl]phenol
SMILESCC1(CSc2cccc(O)c2)CCC1
InChIInChI=1S/C12H16OS/c1-12(6-3-7-12)9-14-11-5-2-4-10(13)8-11/h2,4-5,8,13H,3,6-7,9H2,1H3
InChIKeyDFUFLFWPICKXFD-UHFFFAOYSA-N
MW208.33 g/mol
LogP3.67
Rot. Bonds3

About 3-[(1-methylcyclobutyl)methylsulfanyl]phenol

3-[(1-methylcyclobutyl)methylsulfanyl]phenol (PubChem CID 130601685) has the molecular formula C12H16OS and a molecular weight of 208.33 g/mol. Its IUPAC name is 3-[(1-methylcyclobutyl)methylsulfanyl]phenol.

Molecular Properties

Compound Name3-[(1-methylcyclobutyl)methylsulfanyl]phenol
PubChem CID130601685
Molecular FormulaC12H16OS
Molecular Weight208.33 g/mol
Exact Mass208.09
IUPAC Name3-[(1-methylcyclobutyl)methylsulfanyl]phenol
SMILESCC1(CSc2cccc(O)c2)CCC1
InChIInChI=1S/C12H16OS/c1-12(6-3-7-12)9-14-11-5-2-4-10(13)8-11/h2,4-5,8,13H,3,6-7,9H2,1H3
InChIKeyDFUFLFWPICKXFD-UHFFFAOYSA-N
XLogP3.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1-methoxycyclobutyl)methylsulfanyl]phenol
CID 126815068
3-(2-phenylsulfanylethylsulfanyl)phenol
CID 104590604
3-(cyclopropylmethylsulfanyl)phenol
CID 112623566
3-(2-hydroxypropylsulfanyl)phenol
CID 104590031
3-[2-(ethylamino)ethylsulfanyl]phenol
CID 104591079
3-(3-hydroxypropylsulfanyl)phenol
CID 70270540
3-(2-hydroxybutylsulfanyl)phenol
CID 104590052
bis(3-methylsulfanylphenol);zirconium
CID 174409712
3-(3-aminobutylsulfanyl)phenol
CID 84667848
3-[1-(propan-2-ylsulfanylmethyl)cyclobutyl]phenol
CID 115041780
3-(3-ethoxypropylsulfanyl)phenol
CID 104590102
3-[[(1-methylcyclopropyl)methylamino]methyl]phenol
CID 103724255

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylcyclobutyl)methylsulfanyl]phenol?
The IUPAC name of 3-[(1-methylcyclobutyl)methylsulfanyl]phenol (CID 130601685) is 3-[(1-methylcyclobutyl)methylsulfanyl]phenol.
What is the SMILES notation for 3-[(1-methylcyclobutyl)methylsulfanyl]phenol?
The canonical SMILES for 3-[(1-methylcyclobutyl)methylsulfanyl]phenol is CC1(CSc2cccc(O)c2)CCC1.
What is the InChIKey of 3-[(1-methylcyclobutyl)methylsulfanyl]phenol?
The InChIKey is DFUFLFWPICKXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16OS/c1-12(6-3-7-12)9-14-11-5-2-4-10(13)8-11/h2,4-5,8,13H,3,6-7,9H2,1H3.
What are the key properties of 3-[(1-methylcyclobutyl)methylsulfanyl]phenol?
3-[(1-methylcyclobutyl)methylsulfanyl]phenol has a molecular weight of 208.33 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylcyclobutyl)methylsulfanyl]phenol is sourced from PubChem (CID 130601685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).