4-[5-(4-nonoxyphenyl)pyrimidin-2-yl]phenol

C25H30N2O2 — CID 137234830

IUPAC4-[5-(4-nonoxyphenyl)pyrimidin-2-yl]phenol
SMILESCCCCCCCCCOc1ccc(-c2cnc(-c3ccc(O)cc3)nc2)cc1
InChIInChI=1S/C25H30N2O2/c1-2-3-4-5-6-7-8-17-29-24-15-11-20(12-16-24)22-18-26-25(27-19-22)21-9-13-23(28)14-10-21/h9-16,18-19,28H,2-8,17H2,1H3
InChIKeyZABADYIENBNDGG-UHFFFAOYSA-N
MW390.53 g/mol
LogP6.65
Rot. Bonds11

About 4-[5-(4-nonoxyphenyl)pyrimidin-2-yl]phenol

4-[5-(4-nonoxyphenyl)pyrimidin-2-yl]phenol (PubChem CID 137234830) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 4-[5-(4-nonoxyphenyl)pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name4-[5-(4-nonoxyphenyl)pyrimidin-2-yl]phenol
PubChem CID137234830
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Name4-[5-(4-nonoxyphenyl)pyrimidin-2-yl]phenol
SMILESCCCCCCCCCOc1ccc(-c2cnc(-c3ccc(O)cc3)nc2)cc1
InChIInChI=1S/C25H30N2O2/c1-2-3-4-5-6-7-8-17-29-24-15-11-20(12-16-24)22-18-26-25(27-19-22)21-9-13-23(28)14-10-21/h9-16,18-19,28H,2-8,17H2,1H3
InChIKeyZABADYIENBNDGG-UHFFFAOYSA-N
XLogP6.65
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,5-bis(4-hexoxyphenyl)pyrimidine
CID 23167568
2-[4-(4-decoxyphenyl)phenyl]pyrimidin-5-ol
CID 139654815
4-[4-(5-hexoxypyrimidin-2-yl)phenyl]phenol
CID 136830873
5-octoxy-2-[4-[7-[4-[5-[7-[4-(4-octoxyphenyl)phenoxy]heptoxy]pyrimidin-2-yl]phenoxy]heptoxy]phenyl]pyrimidine
CID 132525748
5-heptoxy-2-(4-octoxyphenyl)pyrimidine
CID 14794369
4-octadecoxyphenol
CID 22179059
4-[5-(4-decylphenyl)pyrimidin-2-yl]phenol
CID 135584460
6-[2-(4-hexoxyphenyl)pyrimidin-5-yl]oxyhexan-1-ol
CID 18977783
5-(4-butoxybutoxy)-2-(4-dodecoxyphenyl)pyrimidine
CID 54363602
2-(3-hexoxyphenyl)-5-(4-hexoxyphenyl)pyrimidine
CID 19386230
1,1'-biphenyl;4-octadecoxyphenol
CID 158943857
5-[4-(2-fluorobutoxy)phenyl]-2-(4-nonoxyphenyl)pyrimidine
CID 22161111

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-nonoxyphenyl)pyrimidin-2-yl]phenol?
The IUPAC name of 4-[5-(4-nonoxyphenyl)pyrimidin-2-yl]phenol (CID 137234830) is 4-[5-(4-nonoxyphenyl)pyrimidin-2-yl]phenol.
What is the SMILES notation for 4-[5-(4-nonoxyphenyl)pyrimidin-2-yl]phenol?
The canonical SMILES for 4-[5-(4-nonoxyphenyl)pyrimidin-2-yl]phenol is CCCCCCCCCOc1ccc(-c2cnc(-c3ccc(O)cc3)nc2)cc1.
What is the InChIKey of 4-[5-(4-nonoxyphenyl)pyrimidin-2-yl]phenol?
The InChIKey is ZABADYIENBNDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-2-3-4-5-6-7-8-17-29-24-15-11-20(12-16-24)22-18-26-25(27-19-22)21-9-13-23(28)14-10-21/h9-16,18-19,28H,2-8,17H2,1H3.
What are the key properties of 4-[5-(4-nonoxyphenyl)pyrimidin-2-yl]phenol?
4-[5-(4-nonoxyphenyl)pyrimidin-2-yl]phenol has a molecular weight of 390.53 g/mol, XLogP of 6.65, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-nonoxyphenyl)pyrimidin-2-yl]phenol is sourced from PubChem (CID 137234830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).