[1-(4-ethylsulfanylphenyl)cyclobutyl]methanol

C13H18OS — CID 116963789

IUPAC[1-(4-ethylsulfanylphenyl)cyclobutyl]methanol
SMILESCCSc1ccc(C2(CO)CCC2)cc1
InChIInChI=1S/C13H18OS/c1-2-15-12-6-4-11(5-7-12)13(10-14)8-3-9-13/h4-7,14H,2-3,8-10H2,1H3
InChIKeyQPUXCQFTJQMPIW-UHFFFAOYSA-N
MW222.35 g/mol
LogP3.21
Rot. Bonds4

About [1-(4-ethylsulfanylphenyl)cyclobutyl]methanol

[1-(4-ethylsulfanylphenyl)cyclobutyl]methanol (PubChem CID 116963789) has the molecular formula C13H18OS and a molecular weight of 222.35 g/mol. Its IUPAC name is [1-(4-ethylsulfanylphenyl)cyclobutyl]methanol.

Molecular Properties

Compound Name[1-(4-ethylsulfanylphenyl)cyclobutyl]methanol
PubChem CID116963789
Molecular FormulaC13H18OS
Molecular Weight222.35 g/mol
Exact Mass222.11
IUPAC Name[1-(4-ethylsulfanylphenyl)cyclobutyl]methanol
SMILESCCSc1ccc(C2(CO)CCC2)cc1
InChIInChI=1S/C13H18OS/c1-2-15-12-6-4-11(5-7-12)13(10-14)8-3-9-13/h4-7,14H,2-3,8-10H2,1H3
InChIKeyQPUXCQFTJQMPIW-UHFFFAOYSA-N
XLogP3.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-(4-ethylsulfanylphenyl)cyclobutyl]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-[4-(dimethylamino)phenyl]cyclobutyl]methanol
CID 83687412
2-[3-(4-ethylsulfanylphenyl)oxetan-3-yl]acetic acid
CID 116871876
[1-[4-(1,1-difluoro-2-methylpropyl)phenyl]cyclobutyl]methanol
CID 116992098
methyl 4-[1-(hydroxymethyl)cyclobutyl]benzoate
CID 164643853
4-ethylsulfanyl-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 110008816
1-[amino-(4-ethylsulfanylphenyl)methyl]cyclobutane-1-carboxylic acid
CID 116944096
ethane;[1-(4-methylphenyl)cyclopropyl]methanol
CID 177161781
2-(4-ethylsulfanylphenyl)-2-methyloxirane
CID 82469117
4-[1-(hydroxymethyl)cyclopropyl]phenol
CID 10877457
[1-(8-methylnaphthalen-2-yl)cyclobutyl]methanol
CID 105484041
[1-(2,3-dihydro-1H-inden-5-yl)cyclobutyl]methanol
CID 83686763
1-ethylsulfanyl-4-(1-isocyanatocyclopropyl)benzene
CID 105474604

Frequently Asked Questions

What is the IUPAC name of [1-(4-ethylsulfanylphenyl)cyclobutyl]methanol?
The IUPAC name of [1-(4-ethylsulfanylphenyl)cyclobutyl]methanol (CID 116963789) is [1-(4-ethylsulfanylphenyl)cyclobutyl]methanol.
What is the SMILES notation for [1-(4-ethylsulfanylphenyl)cyclobutyl]methanol?
The canonical SMILES for [1-(4-ethylsulfanylphenyl)cyclobutyl]methanol is CCSc1ccc(C2(CO)CCC2)cc1.
What is the InChIKey of [1-(4-ethylsulfanylphenyl)cyclobutyl]methanol?
The InChIKey is QPUXCQFTJQMPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18OS/c1-2-15-12-6-4-11(5-7-12)13(10-14)8-3-9-13/h4-7,14H,2-3,8-10H2,1H3.
What are the key properties of [1-(4-ethylsulfanylphenyl)cyclobutyl]methanol?
[1-(4-ethylsulfanylphenyl)cyclobutyl]methanol has a molecular weight of 222.35 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethylsulfanylphenyl)cyclobutyl]methanol is sourced from PubChem (CID 116963789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).