(2,4-diphenyl-2,3-dihydrothiophen-3-yl)-pyridin-3-ylmethanol

C22H19NOS — CID 143495010

IUPAC(2,4-diphenyl-2,3-dihydrothiophen-3-yl)-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)C1C(c2ccccc2)=CSC1c1ccccc1
InChIInChI=1S/C22H19NOS/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/h1-15,20-22,24H
InChIKeyWOTCMOSBBRACPT-UHFFFAOYSA-N
MW345.47 g/mol
LogP5.26
Rot. Bonds4

About (2,4-diphenyl-2,3-dihydrothiophen-3-yl)-pyridin-3-ylmethanol

(2,4-diphenyl-2,3-dihydrothiophen-3-yl)-pyridin-3-ylmethanol (PubChem CID 143495010) has the molecular formula C22H19NOS and a molecular weight of 345.47 g/mol. Its IUPAC name is (2,4-diphenyl-2,3-dihydrothiophen-3-yl)-pyridin-3-ylmethanol.

Molecular Properties

Compound Name(2,4-diphenyl-2,3-dihydrothiophen-3-yl)-pyridin-3-ylmethanol
PubChem CID143495010
Molecular FormulaC22H19NOS
Molecular Weight345.47 g/mol
Exact Mass345.12
IUPAC Name(2,4-diphenyl-2,3-dihydrothiophen-3-yl)-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)C1C(c2ccccc2)=CSC1c1ccccc1
InChIInChI=1S/C22H19NOS/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/h1-15,20-22,24H
InChIKeyWOTCMOSBBRACPT-UHFFFAOYSA-N
XLogP5.26
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.47
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2,4-dichlorophenyl)-5-phenyl-4,5-dihydro-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
CID 144511543
[5-(3-chlorophenyl)-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
CID 144506918
3-hydroxy-6-[hydroxy(pyridin-3-yl)methyl]-4-phenylpyran-2,5-dione
CID 101045482
(2S,5R,6S)-6-[(S)-hydroxy(pyridin-3-yl)methyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CID 70577973
2,3-dihydro-1H-indol-2-yl(pyridin-3-yl)methanol
CID 65042396
2-amino-2-phenyl-1-pyridin-3-ylethanol
CID 62720014
(1R)-2-phenyl-1-pyridin-3-ylethanol
CID 93312258
(2,4-diphenylthiophen-3-yl)-pyridin-3-ylmethanol
CID 24745262
2,2-dipyridin-3-ylethanol
CID 57450821
3-[(1R)-1-phenylethyl]pyridine
CID 13287121
pyridin-3-yl(pyrrolidin-2-yl)methanol
CID 22605701
cyclohex-3-en-1-yl(pyridin-3-yl)methanol
CID 63899340

Frequently Asked Questions

What is the IUPAC name of (2,4-diphenyl-2,3-dihydrothiophen-3-yl)-pyridin-3-ylmethanol?
The IUPAC name of (2,4-diphenyl-2,3-dihydrothiophen-3-yl)-pyridin-3-ylmethanol (CID 143495010) is (2,4-diphenyl-2,3-dihydrothiophen-3-yl)-pyridin-3-ylmethanol.
What is the SMILES notation for (2,4-diphenyl-2,3-dihydrothiophen-3-yl)-pyridin-3-ylmethanol?
The canonical SMILES for (2,4-diphenyl-2,3-dihydrothiophen-3-yl)-pyridin-3-ylmethanol is OC(c1cccnc1)C1C(c2ccccc2)=CSC1c1ccccc1.
What is the InChIKey of (2,4-diphenyl-2,3-dihydrothiophen-3-yl)-pyridin-3-ylmethanol?
The InChIKey is WOTCMOSBBRACPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NOS/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/h1-15,20-22,24H.
What are the key properties of (2,4-diphenyl-2,3-dihydrothiophen-3-yl)-pyridin-3-ylmethanol?
(2,4-diphenyl-2,3-dihydrothiophen-3-yl)-pyridin-3-ylmethanol has a molecular weight of 345.47 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-diphenyl-2,3-dihydrothiophen-3-yl)-pyridin-3-ylmethanol is sourced from PubChem (CID 143495010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).