(2-fluorophenyl)-(2-phenyl-1,3-dithian-2-yl)methanol

C17H17FOS2 — CID 134878222

IUPAC(2-fluorophenyl)-(2-phenyl-1,3-dithian-2-yl)methanol
SMILESOC(c1ccccc1F)C1(c2ccccc2)SCCCS1
InChIInChI=1S/C17H17FOS2/c18-15-10-5-4-9-14(15)16(19)17(20-11-6-12-21-17)13-7-2-1-3-8-13/h1-5,7-10,16,19H,6,11-12H2
InChIKeyORYZECXEYUULMS-UHFFFAOYSA-N
MW320.45 g/mol
LogP4.58
Rot. Bonds3

About (2-fluorophenyl)-(2-phenyl-1,3-dithian-2-yl)methanol

(2-fluorophenyl)-(2-phenyl-1,3-dithian-2-yl)methanol (PubChem CID 134878222) has the molecular formula C17H17FOS2 and a molecular weight of 320.45 g/mol. Its IUPAC name is (2-fluorophenyl)-(2-phenyl-1,3-dithian-2-yl)methanol.

Molecular Properties

Compound Name(2-fluorophenyl)-(2-phenyl-1,3-dithian-2-yl)methanol
PubChem CID134878222
Molecular FormulaC17H17FOS2
Molecular Weight320.45 g/mol
Exact Mass320.07
IUPAC Name(2-fluorophenyl)-(2-phenyl-1,3-dithian-2-yl)methanol
SMILESOC(c1ccccc1F)C1(c2ccccc2)SCCCS1
InChIInChI=1S/C17H17FOS2/c18-15-10-5-4-9-14(15)16(19)17(20-11-6-12-21-17)13-7-2-1-3-8-13/h1-5,7-10,16,19H,6,11-12H2
InChIKeyORYZECXEYUULMS-UHFFFAOYSA-N
XLogP4.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.45
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 46224069
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CID 46224071
(2R*,4R*,6S*)-2-(4-Fluorophenyl)tetrahydro-4-phenyl-6-(thiocyanatomethyl)-2H-pyran-4-ol
CID 46224072
4-Fluoro-4'-(methylthio)benzhydrol
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2-(1,3-Dithian-2-yl)-1-phenylethanol
CID 358342
alpha,alpha-Diphenyl-1,3-dithiane-2-methanol
CID 11109443
1-Phenyl-3-(phenylthio)propan-1-ol
CID 12488334
(1R)-1-phenyl-3-phenylsulfanylpropan-1-ol
CID 93514489
[6-(4-Fluorophenyl)-4-hydroxy-4-phenyloxan-2-yl]methyl thiocyanate
CID 54612774
2-(Ethylsulfanylmethyl)-6-(4-fluorophenyl)-4-phenyloxan-4-ol
CID 54612775
(2-(1,3-Dithian-5-yl)phenyl)methanol
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2-[(4-Fluorophenyl)sulfanyl]-1,1-diphenyl-1-ethanol
CID 2765147

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-(2-phenyl-1,3-dithian-2-yl)methanol?
The IUPAC name of (2-fluorophenyl)-(2-phenyl-1,3-dithian-2-yl)methanol (CID 134878222) is (2-fluorophenyl)-(2-phenyl-1,3-dithian-2-yl)methanol.
What is the SMILES notation for (2-fluorophenyl)-(2-phenyl-1,3-dithian-2-yl)methanol?
The canonical SMILES for (2-fluorophenyl)-(2-phenyl-1,3-dithian-2-yl)methanol is OC(c1ccccc1F)C1(c2ccccc2)SCCCS1.
What is the InChIKey of (2-fluorophenyl)-(2-phenyl-1,3-dithian-2-yl)methanol?
The InChIKey is ORYZECXEYUULMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FOS2/c18-15-10-5-4-9-14(15)16(19)17(20-11-6-12-21-17)13-7-2-1-3-8-13/h1-5,7-10,16,19H,6,11-12H2.
What are the key properties of (2-fluorophenyl)-(2-phenyl-1,3-dithian-2-yl)methanol?
(2-fluorophenyl)-(2-phenyl-1,3-dithian-2-yl)methanol has a molecular weight of 320.45 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-(2-phenyl-1,3-dithian-2-yl)methanol is sourced from PubChem (CID 134878222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).