5-[4-(2-hydroxyethoxy)phenyl]-6-pyridin-4-yl-7,8-dihydronaphthalen-2-ol

C23H21NO3 — CID 135439593

IUPAC5-[4-(2-hydroxyethoxy)phenyl]-6-pyridin-4-yl-7,8-dihydronaphthalen-2-ol
SMILESOCCOc1ccc(C2=C(c3ccncc3)CCc3cc(O)ccc32)cc1
InChIInChI=1S/C23H21NO3/c25-13-14-27-20-5-1-17(2-6-20)23-21(16-9-11-24-12-10-16)7-3-18-15-19(26)4-8-22(18)23/h1-2,4-6,8-12,15,25-26H,3,7,13-14H2
InChIKeyVGFYOBZBPJDLGQ-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.06
Rot. Bonds5

About 5-[4-(2-hydroxyethoxy)phenyl]-6-pyridin-4-yl-7,8-dihydronaphthalen-2-ol

5-[4-(2-hydroxyethoxy)phenyl]-6-pyridin-4-yl-7,8-dihydronaphthalen-2-ol (PubChem CID 135439593) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 5-[4-(2-hydroxyethoxy)phenyl]-6-pyridin-4-yl-7,8-dihydronaphthalen-2-ol.

Molecular Properties

Compound Name5-[4-(2-hydroxyethoxy)phenyl]-6-pyridin-4-yl-7,8-dihydronaphthalen-2-ol
PubChem CID135439593
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Name5-[4-(2-hydroxyethoxy)phenyl]-6-pyridin-4-yl-7,8-dihydronaphthalen-2-ol
SMILESOCCOc1ccc(C2=C(c3ccncc3)CCc3cc(O)ccc32)cc1
InChIInChI=1S/C23H21NO3/c25-13-14-27-20-5-1-17(2-6-20)23-21(16-9-11-24-12-10-16)7-3-18-15-19(26)4-8-22(18)23/h1-2,4-6,8-12,15,25-26H,3,7,13-14H2
InChIKeyVGFYOBZBPJDLGQ-UHFFFAOYSA-N
XLogP4.06
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-hydroxyethoxy)phenyl]-6-pyridin-4-yl-7,8-dihydronaphthalen-2-ol?
The IUPAC name of 5-[4-(2-hydroxyethoxy)phenyl]-6-pyridin-4-yl-7,8-dihydronaphthalen-2-ol (CID 135439593) is 5-[4-(2-hydroxyethoxy)phenyl]-6-pyridin-4-yl-7,8-dihydronaphthalen-2-ol.
What is the SMILES notation for 5-[4-(2-hydroxyethoxy)phenyl]-6-pyridin-4-yl-7,8-dihydronaphthalen-2-ol?
The canonical SMILES for 5-[4-(2-hydroxyethoxy)phenyl]-6-pyridin-4-yl-7,8-dihydronaphthalen-2-ol is OCCOc1ccc(C2=C(c3ccncc3)CCc3cc(O)ccc32)cc1.
What is the InChIKey of 5-[4-(2-hydroxyethoxy)phenyl]-6-pyridin-4-yl-7,8-dihydronaphthalen-2-ol?
The InChIKey is VGFYOBZBPJDLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3/c25-13-14-27-20-5-1-17(2-6-20)23-21(16-9-11-24-12-10-16)7-3-18-15-19(26)4-8-22(18)23/h1-2,4-6,8-12,15,25-26H,3,7,13-14H2.
What are the key properties of 5-[4-(2-hydroxyethoxy)phenyl]-6-pyridin-4-yl-7,8-dihydronaphthalen-2-ol?
5-[4-(2-hydroxyethoxy)phenyl]-6-pyridin-4-yl-7,8-dihydronaphthalen-2-ol has a molecular weight of 359.43 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-hydroxyethoxy)phenyl]-6-pyridin-4-yl-7,8-dihydronaphthalen-2-ol is sourced from PubChem (CID 135439593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).