2-fluoro-4-(5-pyridin-4-yl-5,6,7,8-tetrahydronaphthalen-2-yl)phenol

C21H18FNO — CID 25033811

IUPAC2-fluoro-4-(5-pyridin-4-yl-5,6,7,8-tetrahydronaphthalen-2-yl)phenol
SMILESOc1ccc(-c2ccc3c(c2)CCCC3c2ccncc2)cc1F
InChIInChI=1S/C21H18FNO/c22-20-13-16(5-7-21(20)24)15-4-6-19-17(12-15)2-1-3-18(19)14-8-10-23-11-9-14/h4-13,18,24H,1-3H2
InChIKeyNMAVKSKFHMREEO-UHFFFAOYSA-N
MW319.38 g/mol
LogP5.06
Rot. Bonds2

About 2-fluoro-4-(5-pyridin-4-yl-5,6,7,8-tetrahydronaphthalen-2-yl)phenol

2-fluoro-4-(5-pyridin-4-yl-5,6,7,8-tetrahydronaphthalen-2-yl)phenol (PubChem CID 25033811) has the molecular formula C21H18FNO and a molecular weight of 319.38 g/mol. Its IUPAC name is 2-fluoro-4-(5-pyridin-4-yl-5,6,7,8-tetrahydronaphthalen-2-yl)phenol.

Molecular Properties

Compound Name2-fluoro-4-(5-pyridin-4-yl-5,6,7,8-tetrahydronaphthalen-2-yl)phenol
PubChem CID25033811
Molecular FormulaC21H18FNO
Molecular Weight319.38 g/mol
Exact Mass319.14
IUPAC Name2-fluoro-4-(5-pyridin-4-yl-5,6,7,8-tetrahydronaphthalen-2-yl)phenol
SMILESOc1ccc(-c2ccc3c(c2)CCCC3c2ccncc2)cc1F
InChIInChI=1S/C21H18FNO/c22-20-13-16(5-7-21(20)24)15-4-6-19-17(12-15)2-1-3-18(19)14-8-10-23-11-9-14/h4-13,18,24H,1-3H2
InChIKeyNMAVKSKFHMREEO-UHFFFAOYSA-N
XLogP5.06
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.38
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(5-pyridin-4-yl-5,6,7,8-tetrahydronaphthalen-2-yl)phenol?
The IUPAC name of 2-fluoro-4-(5-pyridin-4-yl-5,6,7,8-tetrahydronaphthalen-2-yl)phenol (CID 25033811) is 2-fluoro-4-(5-pyridin-4-yl-5,6,7,8-tetrahydronaphthalen-2-yl)phenol.
What is the SMILES notation for 2-fluoro-4-(5-pyridin-4-yl-5,6,7,8-tetrahydronaphthalen-2-yl)phenol?
The canonical SMILES for 2-fluoro-4-(5-pyridin-4-yl-5,6,7,8-tetrahydronaphthalen-2-yl)phenol is Oc1ccc(-c2ccc3c(c2)CCCC3c2ccncc2)cc1F.
What is the InChIKey of 2-fluoro-4-(5-pyridin-4-yl-5,6,7,8-tetrahydronaphthalen-2-yl)phenol?
The InChIKey is NMAVKSKFHMREEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO/c22-20-13-16(5-7-21(20)24)15-4-6-19-17(12-15)2-1-3-18(19)14-8-10-23-11-9-14/h4-13,18,24H,1-3H2.
What are the key properties of 2-fluoro-4-(5-pyridin-4-yl-5,6,7,8-tetrahydronaphthalen-2-yl)phenol?
2-fluoro-4-(5-pyridin-4-yl-5,6,7,8-tetrahydronaphthalen-2-yl)phenol has a molecular weight of 319.38 g/mol, XLogP of 5.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(5-pyridin-4-yl-5,6,7,8-tetrahydronaphthalen-2-yl)phenol is sourced from PubChem (CID 25033811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).