(2,4-diphenylthiophen-3-yl)-pyridin-3-ylmethanol

C22H17NOS — CID 24745262

IUPAC(2,4-diphenylthiophen-3-yl)-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1c(-c2ccccc2)csc1-c1ccccc1
InChIInChI=1S/C22H17NOS/c24-21(18-12-7-13-23-14-18)20-19(16-8-3-1-4-9-16)15-25-22(20)17-10-5-2-6-11-17/h1-15,21,24H
InChIKeyODVVLRIWOYUYDH-UHFFFAOYSA-N
MW343.45 g/mol
LogP5.56
Rot. Bonds4

About (2,4-diphenylthiophen-3-yl)-pyridin-3-ylmethanol

(2,4-diphenylthiophen-3-yl)-pyridin-3-ylmethanol (PubChem CID 24745262) has the molecular formula C22H17NOS and a molecular weight of 343.45 g/mol. Its IUPAC name is (2,4-diphenylthiophen-3-yl)-pyridin-3-ylmethanol.

Molecular Properties

Compound Name(2,4-diphenylthiophen-3-yl)-pyridin-3-ylmethanol
PubChem CID24745262
Molecular FormulaC22H17NOS
Molecular Weight343.45 g/mol
Exact Mass343.10
IUPAC Name(2,4-diphenylthiophen-3-yl)-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1c(-c2ccccc2)csc1-c1ccccc1
InChIInChI=1S/C22H17NOS/c24-21(18-12-7-13-23-14-18)20-19(16-8-3-1-4-9-16)15-25-22(20)17-10-5-2-6-11-17/h1-15,21,24H
InChIKeyODVVLRIWOYUYDH-UHFFFAOYSA-N
XLogP5.56
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.45
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3,5-difluorophenyl)-4-thiophen-3-ylthiophen-3-yl]-pyridin-3-ylmethanol
CID 24745105
[2,4-bis(2,4-dichlorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol
CID 24745417
[4-(2,4-dichlorophenyl)-2-thiophen-3-ylthiophen-3-yl]-pyridin-3-ylmethanol
CID 58463365
[2-(4-butylphenyl)-4-(5-methylthiophen-2-yl)thiophen-3-yl]-pyridin-3-ylmethanol
CID 24744944
[4-(3-chlorophenyl)-2-(3,5-difluoro-5-methylcyclohexa-1,3-dien-1-yl)thiophen-3-yl]-pyridin-3-ylmethanol;ethane
CID 143495031
(4-chlorothiophen-2-yl)-pyridin-3-ylmethanol
CID 79428213
1-benzothiophen-3-yl(pyridin-3-yl)methanol
CID 61087457
(2-phenylphenyl)-pyridin-3-ylmethanol;3-prop-2-enoxyprop-1-ene
CID 70532937
2-[hydroxy(pyridin-3-yl)methyl]benzonitrile
CID 69484555
pyridin-3-yl(pyrimidin-2-yl)methanol
CID 54244340
[2,4-bis(4-chlorophenyl)furan-3-yl]-pyridin-3-ylmethanol
CID 58463442
(3,5-dichlorophenyl)-pyridin-3-ylmethanol
CID 63900537

Frequently Asked Questions

What is the IUPAC name of (2,4-diphenylthiophen-3-yl)-pyridin-3-ylmethanol?
The IUPAC name of (2,4-diphenylthiophen-3-yl)-pyridin-3-ylmethanol (CID 24745262) is (2,4-diphenylthiophen-3-yl)-pyridin-3-ylmethanol.
What is the SMILES notation for (2,4-diphenylthiophen-3-yl)-pyridin-3-ylmethanol?
The canonical SMILES for (2,4-diphenylthiophen-3-yl)-pyridin-3-ylmethanol is OC(c1cccnc1)c1c(-c2ccccc2)csc1-c1ccccc1.
What is the InChIKey of (2,4-diphenylthiophen-3-yl)-pyridin-3-ylmethanol?
The InChIKey is ODVVLRIWOYUYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NOS/c24-21(18-12-7-13-23-14-18)20-19(16-8-3-1-4-9-16)15-25-22(20)17-10-5-2-6-11-17/h1-15,21,24H.
What are the key properties of (2,4-diphenylthiophen-3-yl)-pyridin-3-ylmethanol?
(2,4-diphenylthiophen-3-yl)-pyridin-3-ylmethanol has a molecular weight of 343.45 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-diphenylthiophen-3-yl)-pyridin-3-ylmethanol is sourced from PubChem (CID 24745262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).