1-(1,4-dithian-2-yl)-4-phenylbutan-1-ol

C14H20OS2 — CID 79972858

IUPAC1-(1,4-dithian-2-yl)-4-phenylbutan-1-ol
SMILESOC(CCCc1ccccc1)C1CSCCS1
InChIInChI=1S/C14H20OS2/c15-13(14-11-16-9-10-17-14)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,13-15H,4,7-11H2
InChIKeyBOZDIFGFVZNJJW-UHFFFAOYSA-N
MW268.45 g/mol
LogP3.22
Rot. Bonds5

About 1-(1,4-dithian-2-yl)-4-phenylbutan-1-ol

1-(1,4-dithian-2-yl)-4-phenylbutan-1-ol (PubChem CID 79972858) has the molecular formula C14H20OS2 and a molecular weight of 268.45 g/mol. Its IUPAC name is 1-(1,4-dithian-2-yl)-4-phenylbutan-1-ol.

Molecular Properties

Compound Name1-(1,4-dithian-2-yl)-4-phenylbutan-1-ol
PubChem CID79972858
Molecular FormulaC14H20OS2
Molecular Weight268.45 g/mol
Exact Mass268.10
IUPAC Name1-(1,4-dithian-2-yl)-4-phenylbutan-1-ol
SMILESOC(CCCc1ccccc1)C1CSCCS1
InChIInChI=1S/C14H20OS2/c15-13(14-11-16-9-10-17-14)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,13-15H,4,7-11H2
InChIKeyBOZDIFGFVZNJJW-UHFFFAOYSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.45
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,4-dithian-2-yl)-3-phenylpropan-1-ol
CID 79972288
1-(2,3-dihydro-1-benzothiophen-3-yl)-4-phenylbutan-1-ol
CID 105091347
1,4-dithian-2-yl(naphthalen-1-yl)methanol
CID 79973039
N-methyl-4-phenyl-1-(thiolan-3-yl)butan-1-amine
CID 105139837
1-(4-tert-butylcyclohexyl)-4-phenylbutan-1-ol
CID 65401121
(2R)-5-phenylpentane-1,2-diol
CID 102483629
2-methyl-6-phenylhex-1-en-3-ol
CID 23207508
3-methyl-6-phenylhexan-2-ol
CID 54498182
1-(1,4-dithian-2-yl)-2-(thiadiazol-4-yl)ethanol
CID 130550371
[1-(4-methylthiomorpholin-3-yl)-4-phenylbutyl]hydrazine
CID 106446486
15-phenylpentadecane-1,1-diol
CID 139927269
1-chloro-7-phenylheptan-4-ol
CID 54140253

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dithian-2-yl)-4-phenylbutan-1-ol?
The IUPAC name of 1-(1,4-dithian-2-yl)-4-phenylbutan-1-ol (CID 79972858) is 1-(1,4-dithian-2-yl)-4-phenylbutan-1-ol.
What is the SMILES notation for 1-(1,4-dithian-2-yl)-4-phenylbutan-1-ol?
The canonical SMILES for 1-(1,4-dithian-2-yl)-4-phenylbutan-1-ol is OC(CCCc1ccccc1)C1CSCCS1.
What is the InChIKey of 1-(1,4-dithian-2-yl)-4-phenylbutan-1-ol?
The InChIKey is BOZDIFGFVZNJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20OS2/c15-13(14-11-16-9-10-17-14)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,13-15H,4,7-11H2.
What are the key properties of 1-(1,4-dithian-2-yl)-4-phenylbutan-1-ol?
1-(1,4-dithian-2-yl)-4-phenylbutan-1-ol has a molecular weight of 268.45 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dithian-2-yl)-4-phenylbutan-1-ol is sourced from PubChem (CID 79972858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).