[2-(4-phenylphenyl)-1,3-dithiol-4-yl]methanol

C16H14OS2 — CID 141027854

IUPAC[2-(4-phenylphenyl)-1,3-dithiol-4-yl]methanol
SMILESOCC1=CSC(c2ccc(-c3ccccc3)cc2)S1
InChIInChI=1S/C16H14OS2/c17-10-15-11-18-16(19-15)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,11,16-17H,10H2
InChIKeyLSOFZHBGWIDYEM-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.67
Rot. Bonds3

About [2-(4-phenylphenyl)-1,3-dithiol-4-yl]methanol

[2-(4-phenylphenyl)-1,3-dithiol-4-yl]methanol (PubChem CID 141027854) has the molecular formula C16H14OS2 and a molecular weight of 286.42 g/mol. Its IUPAC name is [2-(4-phenylphenyl)-1,3-dithiol-4-yl]methanol.

Molecular Properties

Compound Name[2-(4-phenylphenyl)-1,3-dithiol-4-yl]methanol
PubChem CID141027854
Molecular FormulaC16H14OS2
Molecular Weight286.42 g/mol
Exact Mass286.05
IUPAC Name[2-(4-phenylphenyl)-1,3-dithiol-4-yl]methanol
SMILESOCC1=CSC(c2ccc(-c3ccccc3)cc2)S1
InChIInChI=1S/C16H14OS2/c17-10-15-11-18-16(19-15)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,11,16-17H,10H2
InChIKeyLSOFZHBGWIDYEM-UHFFFAOYSA-N
XLogP4.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

S-[[2-(4-phenylphenyl)-1,3-dithiol-4-yl]methyl] prop-2-enethioate
CID 141027903
[2-[[2-[[4-(hydroxymethyl)-1,3-dithiol-2-yl]methyl]phenyl]methyl]-1,3-dithiol-4-yl]methanol
CID 141049405
2-(4-phenylphenyl)-1,3-dithiane
CID 15040193
[5-(hydroxymethyl)-2-phenyl-1,3-dithiolan-4-yl]methanol
CID 151184902
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
(2R,3R)-2,3-bis(4-phenylphenyl)oxirane
CID 15400082
[4-[(4-phenylphenyl)methyl]phenyl]methanol
CID 141147437
(2-ethyl-3,5-diphenylphenyl)methanol
CID 172831551
benzene;tris(1,1'-biphenyl)
CID 162155747
(2S)-2,5-diphenyl-2,3-dihydro-1,3,4-thiadiazole
CID 40650711
1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 162041275
2-amino-2-(hydroxymethyl)propane-1,3-diol;4-phenylaniline
CID 69498247

Frequently Asked Questions

What is the IUPAC name of [2-(4-phenylphenyl)-1,3-dithiol-4-yl]methanol?
The IUPAC name of [2-(4-phenylphenyl)-1,3-dithiol-4-yl]methanol (CID 141027854) is [2-(4-phenylphenyl)-1,3-dithiol-4-yl]methanol.
What is the SMILES notation for [2-(4-phenylphenyl)-1,3-dithiol-4-yl]methanol?
The canonical SMILES for [2-(4-phenylphenyl)-1,3-dithiol-4-yl]methanol is OCC1=CSC(c2ccc(-c3ccccc3)cc2)S1.
What is the InChIKey of [2-(4-phenylphenyl)-1,3-dithiol-4-yl]methanol?
The InChIKey is LSOFZHBGWIDYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14OS2/c17-10-15-11-18-16(19-15)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,11,16-17H,10H2.
What are the key properties of [2-(4-phenylphenyl)-1,3-dithiol-4-yl]methanol?
[2-(4-phenylphenyl)-1,3-dithiol-4-yl]methanol has a molecular weight of 286.42 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-phenylphenyl)-1,3-dithiol-4-yl]methanol is sourced from PubChem (CID 141027854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).