2-(2-hydroxy-4-nonoxyphenyl)pyrimidin-5-ol

C19H26N2O3 — CID 137235231

IUPAC2-(2-hydroxy-4-nonoxyphenyl)pyrimidin-5-ol
SMILESCCCCCCCCCOc1ccc(-c2ncc(O)cn2)c(O)c1
InChIInChI=1S/C19H26N2O3/c1-2-3-4-5-6-7-8-11-24-16-9-10-17(18(23)12-16)19-20-13-15(22)14-21-19/h9-10,12-14,22-23H,2-8,11H2,1H3
InChIKeyULKBMAXXZVHTFA-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.68
Rot. Bonds10

About 2-(2-hydroxy-4-nonoxyphenyl)pyrimidin-5-ol

2-(2-hydroxy-4-nonoxyphenyl)pyrimidin-5-ol (PubChem CID 137235231) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-(2-hydroxy-4-nonoxyphenyl)pyrimidin-5-ol.

Molecular Properties

Compound Name2-(2-hydroxy-4-nonoxyphenyl)pyrimidin-5-ol
PubChem CID137235231
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name2-(2-hydroxy-4-nonoxyphenyl)pyrimidin-5-ol
SMILESCCCCCCCCCOc1ccc(-c2ncc(O)cn2)c(O)c1
InChIInChI=1S/C19H26N2O3/c1-2-3-4-5-6-7-8-11-24-16-9-10-17(18(23)12-16)19-20-13-15(22)14-21-19/h9-10,12-14,22-23H,2-8,11H2,1H3
InChIKeyULKBMAXXZVHTFA-UHFFFAOYSA-N
XLogP4.68
TPSA75.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2-hydroxy-4-nonoxyphenyl)pyrimidin-5-yl]-N,N-dimethylmethanimidamide
CID 137201424
2-[4-(4-decoxyphenyl)phenyl]pyrimidin-5-ol
CID 139654815
2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-5-hexoxyphenol
CID 135581689
4-hexoxybenzene-1,2-diol
CID 23459322
2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-tridecoxyphenol
CID 135828198
2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-octoxyphenol
CID 161357419
2-(2-fluoro-4-heptoxyphenyl)-5-nonoxypyrimidine
CID 15065975
2-[4,6-bis(4-chlorophenyl)-1,3,5-triazin-2-yl]-5-hexoxyphenol;octane
CID 158984811
2-[4,6-bis(4-phenoxyphenyl)-1,3,5-triazin-2-yl]-5-octoxyphenol
CID 135621952
2-[4-(2-methylphenyl)-1,3,5-triazin-2-yl]-5-octoxyphenol
CID 141239106
2-(4,6-dibenzyl-1,3,5-triazin-2-yl)-5-hexoxyphenol
CID 151805631
4-octadecoxyphenol
CID 22179059

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-4-nonoxyphenyl)pyrimidin-5-ol?
The IUPAC name of 2-(2-hydroxy-4-nonoxyphenyl)pyrimidin-5-ol (CID 137235231) is 2-(2-hydroxy-4-nonoxyphenyl)pyrimidin-5-ol.
What is the SMILES notation for 2-(2-hydroxy-4-nonoxyphenyl)pyrimidin-5-ol?
The canonical SMILES for 2-(2-hydroxy-4-nonoxyphenyl)pyrimidin-5-ol is CCCCCCCCCOc1ccc(-c2ncc(O)cn2)c(O)c1.
What is the InChIKey of 2-(2-hydroxy-4-nonoxyphenyl)pyrimidin-5-ol?
The InChIKey is ULKBMAXXZVHTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-2-3-4-5-6-7-8-11-24-16-9-10-17(18(23)12-16)19-20-13-15(22)14-21-19/h9-10,12-14,22-23H,2-8,11H2,1H3.
What are the key properties of 2-(2-hydroxy-4-nonoxyphenyl)pyrimidin-5-ol?
2-(2-hydroxy-4-nonoxyphenyl)pyrimidin-5-ol has a molecular weight of 330.43 g/mol, XLogP of 4.68, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-4-nonoxyphenyl)pyrimidin-5-ol is sourced from PubChem (CID 137235231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).