4-[4-(5-hexylpyrimidin-2-yl)phenyl]phenol

C22H24N2O — CID 137177178

IUPAC4-[4-(5-hexylpyrimidin-2-yl)phenyl]phenol
SMILESCCCCCCc1cnc(-c2ccc(-c3ccc(O)cc3)cc2)nc1
InChIInChI=1S/C22H24N2O/c1-2-3-4-5-6-17-15-23-22(24-16-17)20-9-7-18(8-10-20)19-11-13-21(25)14-12-19/h7-16,25H,2-6H2,1H3
InChIKeyLMWQMHNZYPKTJN-UHFFFAOYSA-N
MW332.45 g/mol
LogP5.64
Rot. Bonds7

About 4-[4-(5-hexylpyrimidin-2-yl)phenyl]phenol

4-[4-(5-hexylpyrimidin-2-yl)phenyl]phenol (PubChem CID 137177178) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 4-[4-(5-hexylpyrimidin-2-yl)phenyl]phenol.

Molecular Properties

Compound Name4-[4-(5-hexylpyrimidin-2-yl)phenyl]phenol
PubChem CID137177178
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name4-[4-(5-hexylpyrimidin-2-yl)phenyl]phenol
SMILESCCCCCCc1cnc(-c2ccc(-c3ccc(O)cc3)cc2)nc1
InChIInChI=1S/C22H24N2O/c1-2-3-4-5-6-17-15-23-22(24-16-17)20-9-7-18(8-10-20)19-11-13-21(25)14-12-19/h7-16,25H,2-6H2,1H3
InChIKeyLMWQMHNZYPKTJN-UHFFFAOYSA-N
XLogP5.64
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.45
LogP ≤ 55.64
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-[5-(4-decylphenyl)pyrimidin-2-yl]phenol
CID 135584460
2-[4-(4-hexylphenyl)phenyl]-5-octylpyrimidine
CID 14178029
5-hexyl-2-[4-(4-methylphenyl)phenyl]pyrimidine
CID 22090391
2-(4-dodecylphenyl)-5-pentadecylpyrimidine
CID 139803541
5-hexyl-2-(4-nonylphenyl)pyrimidine
CID 14227569
5-tetradecyl-2-(4-tridecylphenyl)pyrimidine
CID 139803490
5-dodecyl-2-(4-hexylphenyl)pyrimidine
CID 139803450
5-heptyl-2-(4-tridecylphenyl)pyrimidine
CID 139803426
2-(4-decylphenyl)-5-pentadecylpyrimidine
CID 139803474
5-octyl-2-(4-octylphenyl)pyrimidine
CID 18544772
2-(4-hexylphenyl)pyrimidin-5-ol
CID 604041
5-pentadecyl-2-(4-phenylphenyl)pyrimidine
CID 140591488

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-hexylpyrimidin-2-yl)phenyl]phenol?
The IUPAC name of 4-[4-(5-hexylpyrimidin-2-yl)phenyl]phenol (CID 137177178) is 4-[4-(5-hexylpyrimidin-2-yl)phenyl]phenol.
What is the SMILES notation for 4-[4-(5-hexylpyrimidin-2-yl)phenyl]phenol?
The canonical SMILES for 4-[4-(5-hexylpyrimidin-2-yl)phenyl]phenol is CCCCCCc1cnc(-c2ccc(-c3ccc(O)cc3)cc2)nc1.
What is the InChIKey of 4-[4-(5-hexylpyrimidin-2-yl)phenyl]phenol?
The InChIKey is LMWQMHNZYPKTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c1-2-3-4-5-6-17-15-23-22(24-16-17)20-9-7-18(8-10-20)19-11-13-21(25)14-12-19/h7-16,25H,2-6H2,1H3.
What are the key properties of 4-[4-(5-hexylpyrimidin-2-yl)phenyl]phenol?
4-[4-(5-hexylpyrimidin-2-yl)phenyl]phenol has a molecular weight of 332.45 g/mol, XLogP of 5.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-hexylpyrimidin-2-yl)phenyl]phenol is sourced from PubChem (CID 137177178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).