3-[1-(propan-2-ylsulfanylmethyl)cyclobutyl]phenol

C14H20OS — CID 115041780

IUPAC3-[1-(propan-2-ylsulfanylmethyl)cyclobutyl]phenol
SMILESCC(C)SCC1(c2cccc(O)c2)CCC1
InChIInChI=1S/C14H20OS/c1-11(2)16-10-14(7-4-8-14)12-5-3-6-13(15)9-12/h3,5-6,9,11,15H,4,7-8,10H2,1-2H3
InChIKeyLKCSMTYNRUDOLA-UHFFFAOYSA-N
MW236.38 g/mol
LogP3.96
Rot. Bonds4

About 3-[1-(propan-2-ylsulfanylmethyl)cyclobutyl]phenol

3-[1-(propan-2-ylsulfanylmethyl)cyclobutyl]phenol (PubChem CID 115041780) has the molecular formula C14H20OS and a molecular weight of 236.38 g/mol. Its IUPAC name is 3-[1-(propan-2-ylsulfanylmethyl)cyclobutyl]phenol.

Molecular Properties

Compound Name3-[1-(propan-2-ylsulfanylmethyl)cyclobutyl]phenol
PubChem CID115041780
Molecular FormulaC14H20OS
Molecular Weight236.38 g/mol
Exact Mass236.12
IUPAC Name3-[1-(propan-2-ylsulfanylmethyl)cyclobutyl]phenol
SMILESCC(C)SCC1(c2cccc(O)c2)CCC1
InChIInChI=1S/C14H20OS/c1-11(2)16-10-14(7-4-8-14)12-5-3-6-13(15)9-12/h3,5-6,9,11,15H,4,7-8,10H2,1-2H3
InChIKeyLKCSMTYNRUDOLA-UHFFFAOYSA-N
XLogP3.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 82596466
1-[3-[1-(aminomethyl)cyclobutyl]phenyl]ethanol
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CID 24864009
3-[3-ethyl-1-(2-piperidin-1-ylethyl)azepan-3-yl]phenol
CID 130244451
3-[1-(dimethylamino)cyclopentyl]phenol
CID 115024208
3-[4-[(dimethylamino)methyl]oxan-4-yl]phenol
CID 68576324
1-bromo-3-[1-(ethylsulfanylmethyl)cyclobutyl]benzene
CID 115052251
3-[1-(ethylsulfanylmethyl)cyclobutyl]aniline
CID 115033022
3-[3-ethyl-1-[8-[3-ethyl-3-(3-hydroxyphenyl)azepan-1-yl]octyl]azepan-3-yl]phenol
CID 74326941
3-[(3S)-3-ethyl-1-[10-[(3S)-3-ethyl-3-(3-hydroxyphenyl)azepan-1-yl]decyl]azepan-3-yl]phenol
CID 24827759

Frequently Asked Questions

What is the IUPAC name of 3-[1-(propan-2-ylsulfanylmethyl)cyclobutyl]phenol?
The IUPAC name of 3-[1-(propan-2-ylsulfanylmethyl)cyclobutyl]phenol (CID 115041780) is 3-[1-(propan-2-ylsulfanylmethyl)cyclobutyl]phenol.
What is the SMILES notation for 3-[1-(propan-2-ylsulfanylmethyl)cyclobutyl]phenol?
The canonical SMILES for 3-[1-(propan-2-ylsulfanylmethyl)cyclobutyl]phenol is CC(C)SCC1(c2cccc(O)c2)CCC1.
What is the InChIKey of 3-[1-(propan-2-ylsulfanylmethyl)cyclobutyl]phenol?
The InChIKey is LKCSMTYNRUDOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20OS/c1-11(2)16-10-14(7-4-8-14)12-5-3-6-13(15)9-12/h3,5-6,9,11,15H,4,7-8,10H2,1-2H3.
What are the key properties of 3-[1-(propan-2-ylsulfanylmethyl)cyclobutyl]phenol?
3-[1-(propan-2-ylsulfanylmethyl)cyclobutyl]phenol has a molecular weight of 236.38 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(propan-2-ylsulfanylmethyl)cyclobutyl]phenol is sourced from PubChem (CID 115041780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).