2-[2-(4-phenoxyphenoxy)ethoxy]pyrimidine

C18H16N2O3 — CID 13386761

IUPAC2-[2-(4-phenoxyphenoxy)ethoxy]pyrimidine
SMILESc1ccc(Oc2ccc(OCCOc3ncccn3)cc2)cc1
InChIInChI=1S/C18H16N2O3/c1-2-5-16(6-3-1)23-17-9-7-15(8-10-17)21-13-14-22-18-19-11-4-12-20-18/h1-12H,13-14H2
InChIKeyFJTIHVJELJWLBZ-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.73
Rot. Bonds7

About 2-[2-(4-phenoxyphenoxy)ethoxy]pyrimidine

2-[2-(4-phenoxyphenoxy)ethoxy]pyrimidine (PubChem CID 13386761) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-[2-(4-phenoxyphenoxy)ethoxy]pyrimidine.

Molecular Properties

Compound Name2-[2-(4-phenoxyphenoxy)ethoxy]pyrimidine
PubChem CID13386761
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name2-[2-(4-phenoxyphenoxy)ethoxy]pyrimidine
SMILESc1ccc(Oc2ccc(OCCOc3ncccn3)cc2)cc1
InChIInChI=1S/C18H16N2O3/c1-2-5-16(6-3-1)23-17-9-7-15(8-10-17)21-13-14-22-18-19-11-4-12-20-18/h1-12H,13-14H2
InChIKeyFJTIHVJELJWLBZ-UHFFFAOYSA-N
XLogP3.73
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-pyrimidin-2-yloxyethoxy)pyrimidine
CID 172699862
2-[3-(4-phenoxyphenoxy)propyl]pyridine
CID 14154439
1-phenoxy-4-[2-(4-phenoxyphenoxy)ethyl]benzene
CID 130400104
2-phenoxyethylmercury
CID 163598363
2-methoxy-6-[2-(4-phenoxyphenoxy)ethoxy]pyridine
CID 13386756
2-[2-[4-(3-methylbut-2-enoxy)phenoxy]ethoxy]pyrimidine
CID 15239108
5-(4-phenoxyphenoxy)pentan-1-ol
CID 62229008
phenoxybenzene;2-pyridin-2-ylpyridine
CID 174917355
1-(3-chloropropoxy)-4-(2-phenoxyethoxy)benzene
CID 19980783
1-(4-methylpentoxy)-4-phenoxybenzene
CID 118535405
1-phenoxy-4-(3-propoxypropoxy)benzene
CID 14353104
2-methyl-3-(2-phenoxyethoxy)pyridine
CID 59416564

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-phenoxyphenoxy)ethoxy]pyrimidine?
The IUPAC name of 2-[2-(4-phenoxyphenoxy)ethoxy]pyrimidine (CID 13386761) is 2-[2-(4-phenoxyphenoxy)ethoxy]pyrimidine.
What is the SMILES notation for 2-[2-(4-phenoxyphenoxy)ethoxy]pyrimidine?
The canonical SMILES for 2-[2-(4-phenoxyphenoxy)ethoxy]pyrimidine is c1ccc(Oc2ccc(OCCOc3ncccn3)cc2)cc1.
What is the InChIKey of 2-[2-(4-phenoxyphenoxy)ethoxy]pyrimidine?
The InChIKey is FJTIHVJELJWLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-2-5-16(6-3-1)23-17-9-7-15(8-10-17)21-13-14-22-18-19-11-4-12-20-18/h1-12H,13-14H2.
What are the key properties of 2-[2-(4-phenoxyphenoxy)ethoxy]pyrimidine?
2-[2-(4-phenoxyphenoxy)ethoxy]pyrimidine has a molecular weight of 308.34 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-phenoxyphenoxy)ethoxy]pyrimidine is sourced from PubChem (CID 13386761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).