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

C26H32N2O — CID 135584460

IUPAC4-[5-(4-decylphenyl)pyrimidin-2-yl]phenol
SMILESCCCCCCCCCCc1ccc(-c2cnc(-c3ccc(O)cc3)nc2)cc1
InChIInChI=1S/C26H32N2O/c1-2-3-4-5-6-7-8-9-10-21-11-13-22(14-12-21)24-19-27-26(28-20-24)23-15-17-25(29)18-16-23/h11-20,29H,2-10H2,1H3
InChIKeyAIDPOURSBYRZHL-UHFFFAOYSA-N
MW388.56 g/mol
LogP7.20
Rot. Bonds11

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

4-[5-(4-decylphenyl)pyrimidin-2-yl]phenol (PubChem CID 135584460) has the molecular formula C26H32N2O and a molecular weight of 388.56 g/mol. Its IUPAC name is 4-[5-(4-decylphenyl)pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name4-[5-(4-decylphenyl)pyrimidin-2-yl]phenol
PubChem CID135584460
Molecular FormulaC26H32N2O
Molecular Weight388.56 g/mol
Exact Mass388.25
IUPAC Name4-[5-(4-decylphenyl)pyrimidin-2-yl]phenol
SMILESCCCCCCCCCCc1ccc(-c2cnc(-c3ccc(O)cc3)nc2)cc1
InChIInChI=1S/C26H32N2O/c1-2-3-4-5-6-7-8-9-10-21-11-13-22(14-12-21)24-19-27-26(28-20-24)23-15-17-25(29)18-16-23/h11-20,29H,2-10H2,1H3
InChIKeyAIDPOURSBYRZHL-UHFFFAOYSA-N
XLogP7.20
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.56
LogP ≤ 57.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(5-hexylpyrimidin-2-yl)phenyl]phenol
CID 137177178
2-(4-hexylphenyl)pyrimidin-5-ol
CID 604041
4-[2-(5-nonyl-2-pyridinyl)pyrimidin-5-yl]phenol
CID 139618413
2-[4-(4-hexylphenyl)phenyl]-5-octylpyrimidine
CID 14178029
2-(4-fluorophenyl)-5-(4-hexylphenyl)pyrimidine
CID 22089512
4-[5-(4-decylphenyl)pyrimidin-2-yl]benzenethiol
CID 154261504
2-(4-pentylphenyl)-5-phenylpyrimidine
CID 71339223
5-tetradecyl-2-(4-tridecylphenyl)pyrimidine
CID 139803490
5-dodecyl-2-(4-hexylphenyl)pyrimidine
CID 139803450
2-(4-dodecylphenyl)-5-pentadecylpyrimidine
CID 139803541
5-hexyl-2-(4-nonylphenyl)pyrimidine
CID 14227569
5-heptyl-2-(4-tridecylphenyl)pyrimidine
CID 139803426

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-decylphenyl)pyrimidin-2-yl]phenol?
The IUPAC name of 4-[5-(4-decylphenyl)pyrimidin-2-yl]phenol (CID 135584460) is 4-[5-(4-decylphenyl)pyrimidin-2-yl]phenol.
What is the SMILES notation for 4-[5-(4-decylphenyl)pyrimidin-2-yl]phenol?
The canonical SMILES for 4-[5-(4-decylphenyl)pyrimidin-2-yl]phenol is CCCCCCCCCCc1ccc(-c2cnc(-c3ccc(O)cc3)nc2)cc1.
What is the InChIKey of 4-[5-(4-decylphenyl)pyrimidin-2-yl]phenol?
The InChIKey is AIDPOURSBYRZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O/c1-2-3-4-5-6-7-8-9-10-21-11-13-22(14-12-21)24-19-27-26(28-20-24)23-15-17-25(29)18-16-23/h11-20,29H,2-10H2,1H3.
What are the key properties of 4-[5-(4-decylphenyl)pyrimidin-2-yl]phenol?
4-[5-(4-decylphenyl)pyrimidin-2-yl]phenol has a molecular weight of 388.56 g/mol, XLogP of 7.20, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-decylphenyl)pyrimidin-2-yl]phenol is sourced from PubChem (CID 135584460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).