[5-(hydroxymethyl)-3,4-diphenylthiophen-2-yl]methanol

C18H16O2S — CID 13177160

IUPAC[5-(hydroxymethyl)-3,4-diphenylthiophen-2-yl]methanol
SMILESOCc1sc(CO)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C18H16O2S/c19-11-15-17(13-7-3-1-4-8-13)18(16(12-20)21-15)14-9-5-2-6-10-14/h1-10,19-20H,11-12H2
InChIKeyVAWXXLUUIZQEID-UHFFFAOYSA-N
MW296.39 g/mol
LogP4.07
Rot. Bonds4

About [5-(hydroxymethyl)-3,4-diphenylthiophen-2-yl]methanol

[5-(hydroxymethyl)-3,4-diphenylthiophen-2-yl]methanol (PubChem CID 13177160) has the molecular formula C18H16O2S and a molecular weight of 296.39 g/mol. Its IUPAC name is [5-(hydroxymethyl)-3,4-diphenylthiophen-2-yl]methanol.

Molecular Properties

Compound Name[5-(hydroxymethyl)-3,4-diphenylthiophen-2-yl]methanol
PubChem CID13177160
Molecular FormulaC18H16O2S
Molecular Weight296.39 g/mol
Exact Mass296.09
IUPAC Name[5-(hydroxymethyl)-3,4-diphenylthiophen-2-yl]methanol
SMILESOCc1sc(CO)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C18H16O2S/c19-11-15-17(13-7-3-1-4-8-13)18(16(12-20)21-15)14-9-5-2-6-10-14/h1-10,19-20H,11-12H2
InChIKeyVAWXXLUUIZQEID-UHFFFAOYSA-N
XLogP4.07
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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[9-(hydroxymethyl)acenaphthyleno[1,2-c]thiophen-7-yl]methanol
CID 44597704
[5-(carbamimidoylsulfanylmethyl)-3,4-diphenylthiophen-2-yl]methyl carbamimidothioate
CID 59497830
2,3,4,5-tetrakis(hydroxymethyl)-6-phenylphenol
CID 88593001
[5-(hydroxymethyl)-3-phenyl-1,2-thiazol-4-yl]methanol
CID 13435381
carbonic acid;2,3,4,5-tetraphenylthiophene
CID 23188696
2,6-bis(hydroxymethyl)-3,5-diphenylpyran-4-one
CID 12006528
2-[2-(hydroxymethyl)-4-(4-methylsulfanylphenyl)-5-phenylthiophen-3-yl]acetonitrile
CID 18347204
(4-phenyl-5-propylthiophen-2-yl)methanol
CID 58438968
(2-amino-5-phenyl-1,3-thiazol-4-yl)methanol
CID 133061184
[4-phenyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]methanol
CID 58020796
1,2,3,4,5-pentakis-phenyl-6-[1,2,2-tris(2,3,4,5,6-pentakis-phenylphenyl)ethenyl]benzene
CID 90779931

Frequently Asked Questions

What is the IUPAC name of [5-(hydroxymethyl)-3,4-diphenylthiophen-2-yl]methanol?
The IUPAC name of [5-(hydroxymethyl)-3,4-diphenylthiophen-2-yl]methanol (CID 13177160) is [5-(hydroxymethyl)-3,4-diphenylthiophen-2-yl]methanol.
What is the SMILES notation for [5-(hydroxymethyl)-3,4-diphenylthiophen-2-yl]methanol?
The canonical SMILES for [5-(hydroxymethyl)-3,4-diphenylthiophen-2-yl]methanol is OCc1sc(CO)c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of [5-(hydroxymethyl)-3,4-diphenylthiophen-2-yl]methanol?
The InChIKey is VAWXXLUUIZQEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2S/c19-11-15-17(13-7-3-1-4-8-13)18(16(12-20)21-15)14-9-5-2-6-10-14/h1-10,19-20H,11-12H2.
What are the key properties of [5-(hydroxymethyl)-3,4-diphenylthiophen-2-yl]methanol?
[5-(hydroxymethyl)-3,4-diphenylthiophen-2-yl]methanol has a molecular weight of 296.39 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(hydroxymethyl)-3,4-diphenylthiophen-2-yl]methanol is sourced from PubChem (CID 13177160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).