7-(4-fluorophenoxy)-2-phenylthieno[3,2-b]pyridin-3-ol

C19H12FNO2S — CID 134962420

IUPAC7-(4-fluorophenoxy)-2-phenylthieno[3,2-b]pyridin-3-ol
SMILESOc1c(-c2ccccc2)sc2c(Oc3ccc(F)cc3)ccnc12
InChIInChI=1S/C19H12FNO2S/c20-13-6-8-14(9-7-13)23-15-10-11-21-16-17(22)18(24-19(15)16)12-4-2-1-3-5-12/h1-11,22H
InChIKeySOORVESTOODXLQ-UHFFFAOYSA-N
MW337.38 g/mol
LogP5.60
Rot. Bonds3

About 7-(4-fluorophenoxy)-2-phenylthieno[3,2-b]pyridin-3-ol

7-(4-fluorophenoxy)-2-phenylthieno[3,2-b]pyridin-3-ol (PubChem CID 134962420) has the molecular formula C19H12FNO2S and a molecular weight of 337.38 g/mol. Its IUPAC name is 7-(4-fluorophenoxy)-2-phenylthieno[3,2-b]pyridin-3-ol.

Molecular Properties

Compound Name7-(4-fluorophenoxy)-2-phenylthieno[3,2-b]pyridin-3-ol
PubChem CID134962420
Molecular FormulaC19H12FNO2S
Molecular Weight337.38 g/mol
Exact Mass337.06
IUPAC Name7-(4-fluorophenoxy)-2-phenylthieno[3,2-b]pyridin-3-ol
SMILESOc1c(-c2ccccc2)sc2c(Oc3ccc(F)cc3)ccnc12
InChIInChI=1S/C19H12FNO2S/c20-13-6-8-14(9-7-13)23-15-10-11-21-16-17(22)18(24-19(15)16)12-4-2-1-3-5-12/h1-11,22H
InChIKeySOORVESTOODXLQ-UHFFFAOYSA-N
XLogP5.60
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.38
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenoxy)-2-phenylthieno[3,2-b]pyridin-3-ol?
The IUPAC name of 7-(4-fluorophenoxy)-2-phenylthieno[3,2-b]pyridin-3-ol (CID 134962420) is 7-(4-fluorophenoxy)-2-phenylthieno[3,2-b]pyridin-3-ol.
What is the SMILES notation for 7-(4-fluorophenoxy)-2-phenylthieno[3,2-b]pyridin-3-ol?
The canonical SMILES for 7-(4-fluorophenoxy)-2-phenylthieno[3,2-b]pyridin-3-ol is Oc1c(-c2ccccc2)sc2c(Oc3ccc(F)cc3)ccnc12.
What is the InChIKey of 7-(4-fluorophenoxy)-2-phenylthieno[3,2-b]pyridin-3-ol?
The InChIKey is SOORVESTOODXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FNO2S/c20-13-6-8-14(9-7-13)23-15-10-11-21-16-17(22)18(24-19(15)16)12-4-2-1-3-5-12/h1-11,22H.
What are the key properties of 7-(4-fluorophenoxy)-2-phenylthieno[3,2-b]pyridin-3-ol?
7-(4-fluorophenoxy)-2-phenylthieno[3,2-b]pyridin-3-ol has a molecular weight of 337.38 g/mol, XLogP of 5.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenoxy)-2-phenylthieno[3,2-b]pyridin-3-ol is sourced from PubChem (CID 134962420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).