5-(3-fluoro-4-methoxyphenyl)-1-pyridin-4-yl-2,3-dihydroinden-1-ol

C21H18FNO2 — CID 25033651

IUPAC5-(3-fluoro-4-methoxyphenyl)-1-pyridin-4-yl-2,3-dihydroinden-1-ol
SMILESCOc1ccc(-c2ccc3c(c2)CCC3(O)c2ccncc2)cc1F
InChIInChI=1S/C21H18FNO2/c1-25-20-5-3-15(13-19(20)22)14-2-4-18-16(12-14)6-9-21(18,24)17-7-10-23-11-8-17/h2-5,7-8,10-13,24H,6,9H2,1H3
InChIKeyVKGRHANZJPGGQL-UHFFFAOYSA-N
MW335.38 g/mol
LogP4.08
Rot. Bonds3

About 5-(3-fluoro-4-methoxyphenyl)-1-pyridin-4-yl-2,3-dihydroinden-1-ol

5-(3-fluoro-4-methoxyphenyl)-1-pyridin-4-yl-2,3-dihydroinden-1-ol (PubChem CID 25033651) has the molecular formula C21H18FNO2 and a molecular weight of 335.38 g/mol. Its IUPAC name is 5-(3-fluoro-4-methoxyphenyl)-1-pyridin-4-yl-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name5-(3-fluoro-4-methoxyphenyl)-1-pyridin-4-yl-2,3-dihydroinden-1-ol
PubChem CID25033651
Molecular FormulaC21H18FNO2
Molecular Weight335.38 g/mol
Exact Mass335.13
IUPAC Name5-(3-fluoro-4-methoxyphenyl)-1-pyridin-4-yl-2,3-dihydroinden-1-ol
SMILESCOc1ccc(-c2ccc3c(c2)CCC3(O)c2ccncc2)cc1F
InChIInChI=1S/C21H18FNO2/c1-25-20-5-3-15(13-19(20)22)14-2-4-18-16(12-14)6-9-21(18,24)17-7-10-23-11-8-17/h2-5,7-8,10-13,24H,6,9H2,1H3
InChIKeyVKGRHANZJPGGQL-UHFFFAOYSA-N
XLogP4.08
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-methoxyphenyl)-1-pyridin-4-yl-2,3-dihydroinden-1-ol?
The IUPAC name of 5-(3-fluoro-4-methoxyphenyl)-1-pyridin-4-yl-2,3-dihydroinden-1-ol (CID 25033651) is 5-(3-fluoro-4-methoxyphenyl)-1-pyridin-4-yl-2,3-dihydroinden-1-ol.
What is the SMILES notation for 5-(3-fluoro-4-methoxyphenyl)-1-pyridin-4-yl-2,3-dihydroinden-1-ol?
The canonical SMILES for 5-(3-fluoro-4-methoxyphenyl)-1-pyridin-4-yl-2,3-dihydroinden-1-ol is COc1ccc(-c2ccc3c(c2)CCC3(O)c2ccncc2)cc1F.
What is the InChIKey of 5-(3-fluoro-4-methoxyphenyl)-1-pyridin-4-yl-2,3-dihydroinden-1-ol?
The InChIKey is VKGRHANZJPGGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO2/c1-25-20-5-3-15(13-19(20)22)14-2-4-18-16(12-14)6-9-21(18,24)17-7-10-23-11-8-17/h2-5,7-8,10-13,24H,6,9H2,1H3.
What are the key properties of 5-(3-fluoro-4-methoxyphenyl)-1-pyridin-4-yl-2,3-dihydroinden-1-ol?
5-(3-fluoro-4-methoxyphenyl)-1-pyridin-4-yl-2,3-dihydroinden-1-ol has a molecular weight of 335.38 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-methoxyphenyl)-1-pyridin-4-yl-2,3-dihydroinden-1-ol is sourced from PubChem (CID 25033651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).