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

C21H16FNO — CID 25033805

IUPAC2-fluoro-4-(5-pyridin-4-yl-7,8-dihydronaphthalen-2-yl)phenol
SMILESOc1ccc(-c2ccc3c(c2)CCC=C3c2ccncc2)cc1F
InChIInChI=1S/C21H16FNO/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/h3-13,24H,1-2H2
InChIKeyDZEUSCNAQKYWAB-UHFFFAOYSA-N
MW317.36 g/mol
LogP4.97
Rot. Bonds2

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

2-fluoro-4-(5-pyridin-4-yl-7,8-dihydronaphthalen-2-yl)phenol (PubChem CID 25033805) has the molecular formula C21H16FNO and a molecular weight of 317.36 g/mol. Its IUPAC name is 2-fluoro-4-(5-pyridin-4-yl-7,8-dihydronaphthalen-2-yl)phenol.

Molecular Properties

Compound Name2-fluoro-4-(5-pyridin-4-yl-7,8-dihydronaphthalen-2-yl)phenol
PubChem CID25033805
Molecular FormulaC21H16FNO
Molecular Weight317.36 g/mol
Exact Mass317.12
IUPAC Name2-fluoro-4-(5-pyridin-4-yl-7,8-dihydronaphthalen-2-yl)phenol
SMILESOc1ccc(-c2ccc3c(c2)CCC=C3c2ccncc2)cc1F
InChIInChI=1S/C21H16FNO/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/h3-13,24H,1-2H2
InChIKeyDZEUSCNAQKYWAB-UHFFFAOYSA-N
XLogP4.97
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 54.97
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-7,8-dihydronaphthalen-2-yl)phenol?
The IUPAC name of 2-fluoro-4-(5-pyridin-4-yl-7,8-dihydronaphthalen-2-yl)phenol (CID 25033805) is 2-fluoro-4-(5-pyridin-4-yl-7,8-dihydronaphthalen-2-yl)phenol.
What is the SMILES notation for 2-fluoro-4-(5-pyridin-4-yl-7,8-dihydronaphthalen-2-yl)phenol?
The canonical SMILES for 2-fluoro-4-(5-pyridin-4-yl-7,8-dihydronaphthalen-2-yl)phenol is Oc1ccc(-c2ccc3c(c2)CCC=C3c2ccncc2)cc1F.
What is the InChIKey of 2-fluoro-4-(5-pyridin-4-yl-7,8-dihydronaphthalen-2-yl)phenol?
The InChIKey is DZEUSCNAQKYWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FNO/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/h3-13,24H,1-2H2.
What are the key properties of 2-fluoro-4-(5-pyridin-4-yl-7,8-dihydronaphthalen-2-yl)phenol?
2-fluoro-4-(5-pyridin-4-yl-7,8-dihydronaphthalen-2-yl)phenol has a molecular weight of 317.36 g/mol, XLogP of 4.97, 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-7,8-dihydronaphthalen-2-yl)phenol is sourced from PubChem (CID 25033805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).