4-(4-hydroxyphenyl)phenol;bis(pyridine-3-carbonitrile)

C24H18N4O2 — CID 139038969

IUPAC4-(4-hydroxyphenyl)phenol;bis(pyridine-3-carbonitrile)
SMILESN#Cc1cccnc1.N#Cc1cccnc1.Oc1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C12H10O2.2C6H4N2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;2*7-4-6-2-1-3-8-5-6/h1-8,13-14H;2*1-3,5H
InChIKeyXJIDRJXFUYDZNB-UHFFFAOYSA-N
MW394.43 g/mol
LogP4.67
Rot. Bonds1

About 4-(4-hydroxyphenyl)phenol;bis(pyridine-3-carbonitrile)

4-(4-hydroxyphenyl)phenol;bis(pyridine-3-carbonitrile) (PubChem CID 139038969) has the molecular formula C24H18N4O2 and a molecular weight of 394.43 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)phenol;bis(pyridine-3-carbonitrile).

Molecular Properties

Compound Name4-(4-hydroxyphenyl)phenol;bis(pyridine-3-carbonitrile)
PubChem CID139038969
Molecular FormulaC24H18N4O2
Molecular Weight394.43 g/mol
Exact Mass394.14
IUPAC Name4-(4-hydroxyphenyl)phenol;bis(pyridine-3-carbonitrile)
SMILESN#Cc1cccnc1.N#Cc1cccnc1.Oc1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C12H10O2.2C6H4N2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;2*7-4-6-2-1-3-8-5-6/h1-8,13-14H;2*1-3,5H
InChIKeyXJIDRJXFUYDZNB-UHFFFAOYSA-N
XLogP4.67
TPSA113.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4,4'-Dihydroxydiphenyl(2-pyridyl)methane
CID 69046
6-Pyridin-3-ylnaphthalen-2-ol
CID 11514074
3-[5-(3-Hydroxyphenyl)pyridin-2-yl]phenol
CID 25093398
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
4'-(Pyridin-4-ylmethyl)biphenyl-3,4-diol
CID 46901610
3-Fluoro-4''-(pyridin-4-ylmethyl)biphenyl-4-ol
CID 46901611
6-[4-(Pyridin-4-ylmethyl)phenyl]naphthalen-2-ol
CID 46901929
2,6-Difluoro-4-[4-[4-(4-methylpiperazin-1-yl)phenyl]pyridin-3-yl]phenol
CID 73010393
4-[2-(2-Pyridinyl)ethyl]phenol
CID 279650

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)phenol;bis(pyridine-3-carbonitrile)?
The IUPAC name of 4-(4-hydroxyphenyl)phenol;bis(pyridine-3-carbonitrile) (CID 139038969) is 4-(4-hydroxyphenyl)phenol;bis(pyridine-3-carbonitrile).
What is the SMILES notation for 4-(4-hydroxyphenyl)phenol;bis(pyridine-3-carbonitrile)?
The canonical SMILES for 4-(4-hydroxyphenyl)phenol;bis(pyridine-3-carbonitrile) is N#Cc1cccnc1.N#Cc1cccnc1.Oc1ccc(-c2ccc(O)cc2)cc1.
What is the InChIKey of 4-(4-hydroxyphenyl)phenol;bis(pyridine-3-carbonitrile)?
The InChIKey is XJIDRJXFUYDZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2.2C6H4N2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;2*7-4-6-2-1-3-8-5-6/h1-8,13-14H;2*1-3,5H.
What are the key properties of 4-(4-hydroxyphenyl)phenol;bis(pyridine-3-carbonitrile)?
4-(4-hydroxyphenyl)phenol;bis(pyridine-3-carbonitrile) has a molecular weight of 394.43 g/mol, XLogP of 4.67, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)phenol;bis(pyridine-3-carbonitrile) is sourced from PubChem (CID 139038969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).