6-(3-fluoro-4-methoxyphenyl)-1-pyridin-4-yl-3,4-dihydro-2H-naphthalen-1-ol

C22H20FNO2 — CID 25033731

IUPAC6-(3-fluoro-4-methoxyphenyl)-1-pyridin-4-yl-3,4-dihydro-2H-naphthalen-1-ol
SMILESCOc1ccc(-c2ccc3c(c2)CCCC3(O)c2ccncc2)cc1F
InChIInChI=1S/C22H20FNO2/c1-26-21-7-5-16(14-20(21)23)15-4-6-19-17(13-15)3-2-10-22(19,25)18-8-11-24-12-9-18/h4-9,11-14,25H,2-3,10H2,1H3
InChIKeyLRECNGBVUUBJSA-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.47
Rot. Bonds3

About 6-(3-fluoro-4-methoxyphenyl)-1-pyridin-4-yl-3,4-dihydro-2H-naphthalen-1-ol

6-(3-fluoro-4-methoxyphenyl)-1-pyridin-4-yl-3,4-dihydro-2H-naphthalen-1-ol (PubChem CID 25033731) has the molecular formula C22H20FNO2 and a molecular weight of 349.41 g/mol. Its IUPAC name is 6-(3-fluoro-4-methoxyphenyl)-1-pyridin-4-yl-3,4-dihydro-2H-naphthalen-1-ol.

Molecular Properties

Compound Name6-(3-fluoro-4-methoxyphenyl)-1-pyridin-4-yl-3,4-dihydro-2H-naphthalen-1-ol
PubChem CID25033731
Molecular FormulaC22H20FNO2
Molecular Weight349.41 g/mol
Exact Mass349.15
IUPAC Name6-(3-fluoro-4-methoxyphenyl)-1-pyridin-4-yl-3,4-dihydro-2H-naphthalen-1-ol
SMILESCOc1ccc(-c2ccc3c(c2)CCCC3(O)c2ccncc2)cc1F
InChIInChI=1S/C22H20FNO2/c1-26-21-7-5-16(14-20(21)23)15-4-6-19-17(13-15)3-2-10-22(19,25)18-8-11-24-12-9-18/h4-9,11-14,25H,2-3,10H2,1H3
InChIKeyLRECNGBVUUBJSA-UHFFFAOYSA-N
XLogP4.47
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-4-methoxyphenyl)-1-pyridin-4-yl-3,4-dihydro-2H-naphthalen-1-ol?
The IUPAC name of 6-(3-fluoro-4-methoxyphenyl)-1-pyridin-4-yl-3,4-dihydro-2H-naphthalen-1-ol (CID 25033731) is 6-(3-fluoro-4-methoxyphenyl)-1-pyridin-4-yl-3,4-dihydro-2H-naphthalen-1-ol.
What is the SMILES notation for 6-(3-fluoro-4-methoxyphenyl)-1-pyridin-4-yl-3,4-dihydro-2H-naphthalen-1-ol?
The canonical SMILES for 6-(3-fluoro-4-methoxyphenyl)-1-pyridin-4-yl-3,4-dihydro-2H-naphthalen-1-ol is COc1ccc(-c2ccc3c(c2)CCCC3(O)c2ccncc2)cc1F.
What is the InChIKey of 6-(3-fluoro-4-methoxyphenyl)-1-pyridin-4-yl-3,4-dihydro-2H-naphthalen-1-ol?
The InChIKey is LRECNGBVUUBJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO2/c1-26-21-7-5-16(14-20(21)23)15-4-6-19-17(13-15)3-2-10-22(19,25)18-8-11-24-12-9-18/h4-9,11-14,25H,2-3,10H2,1H3.
What are the key properties of 6-(3-fluoro-4-methoxyphenyl)-1-pyridin-4-yl-3,4-dihydro-2H-naphthalen-1-ol?
6-(3-fluoro-4-methoxyphenyl)-1-pyridin-4-yl-3,4-dihydro-2H-naphthalen-1-ol has a molecular weight of 349.41 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-4-methoxyphenyl)-1-pyridin-4-yl-3,4-dihydro-2H-naphthalen-1-ol is sourced from PubChem (CID 25033731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).