[3-(4-chlorophenyl)-5-(2,3-dihydrothiophen-5-yl)-2,3-dihydrofuran-4-yl]-pyridin-3-ylmethanol

C20H18ClNO2S — CID 70883237

IUPAC[3-(4-chlorophenyl)-5-(2,3-dihydrothiophen-5-yl)-2,3-dihydrofuran-4-yl]-pyridin-3-ylmethanol
SMILESOC(C1=C(C2=CCCS2)OCC1c1ccc(Cl)cc1)c1cccnc1
InChIInChI=1S/C20H18ClNO2S/c21-15-7-5-13(6-8-15)16-12-24-20(17-4-2-10-25-17)18(16)19(23)14-3-1-9-22-11-14/h1,3-9,11,16,19,23H,2,10,12H2
InChIKeyXDBNICQHKILWOH-UHFFFAOYSA-N
MW371.89 g/mol
LogP4.86
Rot. Bonds4

About [3-(4-chlorophenyl)-5-(2,3-dihydrothiophen-5-yl)-2,3-dihydrofuran-4-yl]-pyridin-3-ylmethanol

[3-(4-chlorophenyl)-5-(2,3-dihydrothiophen-5-yl)-2,3-dihydrofuran-4-yl]-pyridin-3-ylmethanol (PubChem CID 70883237) has the molecular formula C20H18ClNO2S and a molecular weight of 371.89 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-5-(2,3-dihydrothiophen-5-yl)-2,3-dihydrofuran-4-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-5-(2,3-dihydrothiophen-5-yl)-2,3-dihydrofuran-4-yl]-pyridin-3-ylmethanol
PubChem CID70883237
Molecular FormulaC20H18ClNO2S
Molecular Weight371.89 g/mol
Exact Mass371.07
IUPAC Name[3-(4-chlorophenyl)-5-(2,3-dihydrothiophen-5-yl)-2,3-dihydrofuran-4-yl]-pyridin-3-ylmethanol
SMILESOC(C1=C(C2=CCCS2)OCC1c1ccc(Cl)cc1)c1cccnc1
InChIInChI=1S/C20H18ClNO2S/c21-15-7-5-13(6-8-15)16-12-24-20(17-4-2-10-25-17)18(16)19(23)14-3-1-9-22-11-14/h1,3-9,11,16,19,23H,2,10,12H2
InChIKeyXDBNICQHKILWOH-UHFFFAOYSA-N
XLogP4.86
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.89
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-5-(2,3-dihydrothiophen-5-yl)-2,3-dihydrofuran-4-yl]-pyridin-3-ylmethanol?
The IUPAC name of [3-(4-chlorophenyl)-5-(2,3-dihydrothiophen-5-yl)-2,3-dihydrofuran-4-yl]-pyridin-3-ylmethanol (CID 70883237) is [3-(4-chlorophenyl)-5-(2,3-dihydrothiophen-5-yl)-2,3-dihydrofuran-4-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for [3-(4-chlorophenyl)-5-(2,3-dihydrothiophen-5-yl)-2,3-dihydrofuran-4-yl]-pyridin-3-ylmethanol?
The canonical SMILES for [3-(4-chlorophenyl)-5-(2,3-dihydrothiophen-5-yl)-2,3-dihydrofuran-4-yl]-pyridin-3-ylmethanol is OC(C1=C(C2=CCCS2)OCC1c1ccc(Cl)cc1)c1cccnc1.
What is the InChIKey of [3-(4-chlorophenyl)-5-(2,3-dihydrothiophen-5-yl)-2,3-dihydrofuran-4-yl]-pyridin-3-ylmethanol?
The InChIKey is XDBNICQHKILWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO2S/c21-15-7-5-13(6-8-15)16-12-24-20(17-4-2-10-25-17)18(16)19(23)14-3-1-9-22-11-14/h1,3-9,11,16,19,23H,2,10,12H2.
What are the key properties of [3-(4-chlorophenyl)-5-(2,3-dihydrothiophen-5-yl)-2,3-dihydrofuran-4-yl]-pyridin-3-ylmethanol?
[3-(4-chlorophenyl)-5-(2,3-dihydrothiophen-5-yl)-2,3-dihydrofuran-4-yl]-pyridin-3-ylmethanol has a molecular weight of 371.89 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-5-(2,3-dihydrothiophen-5-yl)-2,3-dihydrofuran-4-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 70883237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).