2-butan-2-ylsulfanyl-1-(4-cyclopropyloxyphenyl)ethanol

C15H22O2S — CID 114519052

IUPAC2-butan-2-ylsulfanyl-1-(4-cyclopropyloxyphenyl)ethanol
SMILESCCC(C)SCC(O)c1ccc(OC2CC2)cc1
InChIInChI=1S/C15H22O2S/c1-3-11(2)18-10-15(16)12-4-6-13(7-5-12)17-14-8-9-14/h4-7,11,14-16H,3,8-10H2,1-2H3
InChIKeyMLCJOWBLVSRSOR-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.79
Rot. Bonds7

About 2-butan-2-ylsulfanyl-1-(4-cyclopropyloxyphenyl)ethanol

2-butan-2-ylsulfanyl-1-(4-cyclopropyloxyphenyl)ethanol (PubChem CID 114519052) has the molecular formula C15H22O2S and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-butan-2-ylsulfanyl-1-(4-cyclopropyloxyphenyl)ethanol.

Molecular Properties

Compound Name2-butan-2-ylsulfanyl-1-(4-cyclopropyloxyphenyl)ethanol
PubChem CID114519052
Molecular FormulaC15H22O2S
Molecular Weight266.41 g/mol
Exact Mass266.13
IUPAC Name2-butan-2-ylsulfanyl-1-(4-cyclopropyloxyphenyl)ethanol
SMILESCCC(C)SCC(O)c1ccc(OC2CC2)cc1
InChIInChI=1S/C15H22O2S/c1-3-11(2)18-10-15(16)12-4-6-13(7-5-12)17-14-8-9-14/h4-7,11,14-16H,3,8-10H2,1-2H3
InChIKeyMLCJOWBLVSRSOR-UHFFFAOYSA-N
XLogP3.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cyclopropyloxyphenyl)-2-methylsulfanylethanol
CID 114519028
1-(4-cyclopropyloxyphenyl)propan-1-ol
CID 114518583
1-(4-cyclopropyloxyphenyl)-2-ethoxyethanol
CID 114519068
(4-cyclopropyloxyphenyl)-(4-ethoxyphenyl)methanol
CID 114518502
1-(4-cyclopropyloxyphenyl)-2-propoxyethanol
CID 114519020
(1R)-1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]propan-1-ol
CID 64736309
2-butan-2-ylsulfanyl-1-naphthalen-2-ylethanol
CID 65136583
1-(4-cyclopropyloxyphenyl)-2-(4-methoxyphenyl)ethanol
CID 114519008
2-cyclopentyl-1-(4-cyclopropyloxyphenyl)ethanol
CID 115838412
2-(tert-butylamino)-1-(4-cyclopropyloxyphenyl)ethanol
CID 114520400
(1S)-1-[4-(4-methylcyclohexyl)oxyphenyl]propan-1-amine
CID 78999289
cyclobutyl-(4-cyclopropyloxyphenyl)methanol
CID 114518671

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfanyl-1-(4-cyclopropyloxyphenyl)ethanol?
The IUPAC name of 2-butan-2-ylsulfanyl-1-(4-cyclopropyloxyphenyl)ethanol (CID 114519052) is 2-butan-2-ylsulfanyl-1-(4-cyclopropyloxyphenyl)ethanol.
What is the SMILES notation for 2-butan-2-ylsulfanyl-1-(4-cyclopropyloxyphenyl)ethanol?
The canonical SMILES for 2-butan-2-ylsulfanyl-1-(4-cyclopropyloxyphenyl)ethanol is CCC(C)SCC(O)c1ccc(OC2CC2)cc1.
What is the InChIKey of 2-butan-2-ylsulfanyl-1-(4-cyclopropyloxyphenyl)ethanol?
The InChIKey is MLCJOWBLVSRSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2S/c1-3-11(2)18-10-15(16)12-4-6-13(7-5-12)17-14-8-9-14/h4-7,11,14-16H,3,8-10H2,1-2H3.
What are the key properties of 2-butan-2-ylsulfanyl-1-(4-cyclopropyloxyphenyl)ethanol?
2-butan-2-ylsulfanyl-1-(4-cyclopropyloxyphenyl)ethanol has a molecular weight of 266.41 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfanyl-1-(4-cyclopropyloxyphenyl)ethanol is sourced from PubChem (CID 114519052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).