4-[3-(4-hydroxyphenyl)-1-adamantyl]phenol;4-pyridin-4-ylpyridine

C32H32N2O2 — CID 139146373

IUPAC4-[3-(4-hydroxyphenyl)-1-adamantyl]phenol;4-pyridin-4-ylpyridine
SMILESOc1ccc(C23CC4CC(C2)CC(c2ccc(O)cc2)(C4)C3)cc1.c1cc(-c2ccncc2)ccn1
InChIInChI=1S/C22H24O2.C10H8N2/c23-19-5-1-17(2-6-19)21-10-15-9-16(11-21)13-22(12-15,14-21)18-3-7-20(24)8-4-18;1-5-11-6-2-9(1)10-3-7-12-8-4-10/h1-8,15-16,23-24H,9-14H2;1-8H
InChIKeyHTBOYDHDGGKCLM-UHFFFAOYSA-N
MW476.62 g/mol
LogP7.03
Rot. Bonds3

About 4-[3-(4-hydroxyphenyl)-1-adamantyl]phenol;4-pyridin-4-ylpyridine

4-[3-(4-hydroxyphenyl)-1-adamantyl]phenol;4-pyridin-4-ylpyridine (PubChem CID 139146373) has the molecular formula C32H32N2O2 and a molecular weight of 476.62 g/mol. Its IUPAC name is 4-[3-(4-hydroxyphenyl)-1-adamantyl]phenol;4-pyridin-4-ylpyridine.

Molecular Properties

Compound Name4-[3-(4-hydroxyphenyl)-1-adamantyl]phenol;4-pyridin-4-ylpyridine
PubChem CID139146373
Molecular FormulaC32H32N2O2
Molecular Weight476.62 g/mol
Exact Mass476.25
IUPAC Name4-[3-(4-hydroxyphenyl)-1-adamantyl]phenol;4-pyridin-4-ylpyridine
SMILESOc1ccc(C23CC4CC(C2)CC(c2ccc(O)cc2)(C4)C3)cc1.c1cc(-c2ccncc2)ccn1
InChIInChI=1S/C22H24O2.C10H8N2/c23-19-5-1-17(2-6-19)21-10-15-9-16(11-21)13-22(12-15,14-21)18-3-7-20(24)8-4-18;1-5-11-6-2-9(1)10-3-7-12-8-4-10/h1-8,15-16,23-24H,9-14H2;1-8H
InChIKeyHTBOYDHDGGKCLM-UHFFFAOYSA-N
XLogP7.03
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.62
LogP ≤ 57.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,4'-Dihydroxydiphenyl(2-pyridyl)methane
CID 69046
2-Fluoro-4-[5-(pyridin-4-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]phenol
CID 25033811
4''-(1-(Pyridin-4-yl)propyl)biphenyl-3-ol
CID 46854448
4''-(2-Methyl-1-(pyridin-4-yl)propyl)biphenyl-3-ol
CID 46854449
3-Fluoro-4''-(1-(pyridin-4-yl)propyl)biphenyl-4-ol
CID 46854606
4''-(Pyridin-4-ylmethyl)biphenyl-3-ol
CID 46901446
3-Fluoro-4''-(pyridin-4-ylmethyl)biphenyl-4-ol
CID 46901611
6-[4-(Pyridin-4-ylmethyl)phenyl]naphthalen-2-ol
CID 46901929
2-Fluoro-4-[5-(pyridin-4-yl)-7,8-dihydronaphthalen-2-yl]phenol
CID 25033805
4-[(4''-Hydroxybiphenyl-4-yl)methyl]pyridine
CID 49864181
2,6-Di-tert-butyl-4-(2-(3-pyridinyl)ethenyl)phenol
CID 6439912
4-[5-(4-Hydroxyphenyl)-3-pyridinyl]phenol
CID 10422855

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-hydroxyphenyl)-1-adamantyl]phenol;4-pyridin-4-ylpyridine?
The IUPAC name of 4-[3-(4-hydroxyphenyl)-1-adamantyl]phenol;4-pyridin-4-ylpyridine (CID 139146373) is 4-[3-(4-hydroxyphenyl)-1-adamantyl]phenol;4-pyridin-4-ylpyridine.
What is the SMILES notation for 4-[3-(4-hydroxyphenyl)-1-adamantyl]phenol;4-pyridin-4-ylpyridine?
The canonical SMILES for 4-[3-(4-hydroxyphenyl)-1-adamantyl]phenol;4-pyridin-4-ylpyridine is Oc1ccc(C23CC4CC(C2)CC(c2ccc(O)cc2)(C4)C3)cc1.c1cc(-c2ccncc2)ccn1.
What is the InChIKey of 4-[3-(4-hydroxyphenyl)-1-adamantyl]phenol;4-pyridin-4-ylpyridine?
The InChIKey is HTBOYDHDGGKCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O2.C10H8N2/c23-19-5-1-17(2-6-19)21-10-15-9-16(11-21)13-22(12-15,14-21)18-3-7-20(24)8-4-18;1-5-11-6-2-9(1)10-3-7-12-8-4-10/h1-8,15-16,23-24H,9-14H2;1-8H.
What are the key properties of 4-[3-(4-hydroxyphenyl)-1-adamantyl]phenol;4-pyridin-4-ylpyridine?
4-[3-(4-hydroxyphenyl)-1-adamantyl]phenol;4-pyridin-4-ylpyridine has a molecular weight of 476.62 g/mol, XLogP of 7.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-hydroxyphenyl)-1-adamantyl]phenol;4-pyridin-4-ylpyridine is sourced from PubChem (CID 139146373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).