3-(4-propylphenyl)thietan-3-ol

C12H16OS — CID 130914921

IUPAC3-(4-propylphenyl)thietan-3-ol
SMILESCCCc1ccc(C2(O)CSC2)cc1
InChIInChI=1S/C12H16OS/c1-2-3-10-4-6-11(7-5-10)12(13)8-14-9-12/h4-7,13H,2-3,8-9H2,1H3
InChIKeyZKHPSOLPFDZZQV-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.57
Rot. Bonds3

About 3-(4-propylphenyl)thietan-3-ol

3-(4-propylphenyl)thietan-3-ol (PubChem CID 130914921) has the molecular formula C12H16OS and a molecular weight of 208.33 g/mol. Its IUPAC name is 3-(4-propylphenyl)thietan-3-ol.

Molecular Properties

Compound Name3-(4-propylphenyl)thietan-3-ol
PubChem CID130914921
Molecular FormulaC12H16OS
Molecular Weight208.33 g/mol
Exact Mass208.09
IUPAC Name3-(4-propylphenyl)thietan-3-ol
SMILESCCCc1ccc(C2(O)CSC2)cc1
InChIInChI=1S/C12H16OS/c1-2-3-10-4-6-11(7-5-10)12(13)8-14-9-12/h4-7,13H,2-3,8-9H2,1H3
InChIKeyZKHPSOLPFDZZQV-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-propylphenyl)cyclobutan-1-ol
CID 79080570
1-(4-propylphenyl)cyclopentan-1-ol
CID 62802063
4,4-dimethyl-1-(4-propylphenyl)cycloheptan-1-ol
CID 65085797
4-propan-2-yl-1-(4-propylphenyl)cyclohexan-1-ol
CID 63406977
4-(4-propylphenyl)oxepan-4-ol
CID 65080658
8-(4-propylphenyl)-1,4-dioxaspiro[4.6]undecan-8-ol
CID 145005903
1-(4-propylphenyl)cyclopropan-1-amine
CID 82280519
methyl 4-hydroxy-4-(4-propylphenyl)cyclohexane-1-carboxylate
CID 19986751
1-[4-hydroxy-4-(4-propylphenyl)cyclohexyl]-4-(4-propylphenyl)cyclohexan-1-ol
CID 86228586
4-(4-chlorophenyl)-1-(4-propylphenyl)sulfonylpiperidin-4-ol
CID 6733445
3-(4-hexylphenyl)-8-thiabicyclo[3.2.1]octan-3-ol
CID 171957207
2-methyl-3-(4-propylphenyl)thian-3-ol
CID 79952547

Frequently Asked Questions

What is the IUPAC name of 3-(4-propylphenyl)thietan-3-ol?
The IUPAC name of 3-(4-propylphenyl)thietan-3-ol (CID 130914921) is 3-(4-propylphenyl)thietan-3-ol.
What is the SMILES notation for 3-(4-propylphenyl)thietan-3-ol?
The canonical SMILES for 3-(4-propylphenyl)thietan-3-ol is CCCc1ccc(C2(O)CSC2)cc1.
What is the InChIKey of 3-(4-propylphenyl)thietan-3-ol?
The InChIKey is ZKHPSOLPFDZZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16OS/c1-2-3-10-4-6-11(7-5-10)12(13)8-14-9-12/h4-7,13H,2-3,8-9H2,1H3.
What are the key properties of 3-(4-propylphenyl)thietan-3-ol?
3-(4-propylphenyl)thietan-3-ol has a molecular weight of 208.33 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propylphenyl)thietan-3-ol is sourced from PubChem (CID 130914921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).