(3-cyclobutylphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanol

C17H24OS2 — CID 103345294

IUPAC(3-cyclobutylphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanol
SMILESCC1SCC(C(O)c2cccc(C3CCC3)c2)SC1C
InChIInChI=1S/C17H24OS2/c1-11-12(2)20-16(10-19-11)17(18)15-8-4-7-14(9-15)13-5-3-6-13/h4,7-9,11-13,16-18H,3,5-6,10H2,1-2H3
InChIKeyDUWVDYZBPCKQTD-UHFFFAOYSA-N
MW308.51 g/mol
LogP4.61
Rot. Bonds3

About (3-cyclobutylphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanol

(3-cyclobutylphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanol (PubChem CID 103345294) has the molecular formula C17H24OS2 and a molecular weight of 308.51 g/mol. Its IUPAC name is (3-cyclobutylphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanol.

Molecular Properties

Compound Name(3-cyclobutylphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanol
PubChem CID103345294
Molecular FormulaC17H24OS2
Molecular Weight308.51 g/mol
Exact Mass308.13
IUPAC Name(3-cyclobutylphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanol
SMILESCC1SCC(C(O)c2cccc(C3CCC3)c2)SC1C
InChIInChI=1S/C17H24OS2/c1-11-12(2)20-16(10-19-11)17(18)15-8-4-7-14(9-15)13-5-3-6-13/h4,7-9,11-13,16-18H,3,5-6,10H2,1-2H3
InChIKeyDUWVDYZBPCKQTD-UHFFFAOYSA-N
XLogP4.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.51
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-cyclobutylphenyl)-cyclopropylmethanol
CID 114601273
(4-cyclobutylphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanamine
CID 103345465
(3-cyclobutylphenyl)-(3-methylcyclohexyl)methanol
CID 114601424
(5,6-dimethyl-1,4-dithian-2-yl)-(4-fluoro-3-methylphenyl)methanol
CID 103345091
(3-cyclobutylphenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methanol
CID 105132379
(3-cyclobutylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
CID 115839005
1-(3-cyclobutylphenyl)-2-cyclopropylethane-1,2-diol
CID 103456751
1-(3-cyclobutylphenyl)-2-methylsulfanylethanol
CID 114602219
(1R)-1-(3-cyclobutylphenyl)-2,2,2-trifluoroethanol
CID 104939857
1-(3-cyclobutylphenyl)pentan-1-ol
CID 114601319
1-(3-cyclobutylphenyl)-2,2-dimethylpropan-1-amine
CID 114602608
1-(3-cyclohexylphenyl)propan-1-ol
CID 178189134

Frequently Asked Questions

What is the IUPAC name of (3-cyclobutylphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanol?
The IUPAC name of (3-cyclobutylphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanol (CID 103345294) is (3-cyclobutylphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanol.
What is the SMILES notation for (3-cyclobutylphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanol?
The canonical SMILES for (3-cyclobutylphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanol is CC1SCC(C(O)c2cccc(C3CCC3)c2)SC1C.
What is the InChIKey of (3-cyclobutylphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanol?
The InChIKey is DUWVDYZBPCKQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24OS2/c1-11-12(2)20-16(10-19-11)17(18)15-8-4-7-14(9-15)13-5-3-6-13/h4,7-9,11-13,16-18H,3,5-6,10H2,1-2H3.
What are the key properties of (3-cyclobutylphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanol?
(3-cyclobutylphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanol has a molecular weight of 308.51 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclobutylphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanol is sourced from PubChem (CID 103345294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).