1-benzyl-3-propan-2-ylbenzene;4-cyclopropyl-6-(3-fluorophenoxy)-2-propan-2-ylpyrimidine;2-(3-fluorophenoxy)-6-propan-2-ylpyrazine;6-(3-fluorophenoxy)-2-propan-2-ylpyrimidine-4-carbonitrile;4-methoxy-6-phenoxy-2-propan-2-ylpyrimidine;4-methyl-6-phenoxy-2-propan-2-ylpyrimidine;1-phenoxy-3-propan-2-ylbenzene;2-(3-propan-2-ylphenoxy)pyridine

C116H123F3N12O8 — CID 159351414

IUPAC1-benzyl-3-propan-2-ylbenzene;4-cyclopropyl-6-(3-fluorophenoxy)-2-propan-2-ylpyrimidine;2-(3-fluorophenoxy)-6-propan-2-ylpyrazine;6-(3-fluorophenoxy)-2-propan-2-ylpyrimidine-4-carbonitrile;4-methoxy-6-phenoxy-2-propan-2-ylpyrimidine;4-methyl-6-phenoxy-2-propan-2-ylpyrimidine;1-phenoxy-3-propan-2-ylbenzene;2-(3-propan-2-ylphenoxy)pyridine
SMILESCC(C)c1cccc(Cc2ccccc2)c1.CC(C)c1cccc(Oc2ccccc2)c1.CC(C)c1cccc(Oc2ccccn2)c1.CC(C)c1cncc(Oc2cccc(F)c2)n1.CC(C)c1nc(C#N)cc(Oc2cccc(F)c2)n1.CC(C)c1nc(Oc2cccc(F)c2)cc(C2CC2)n1.COc1cc(Oc2ccccc2)nc(C(C)C)n1.Cc1cc(Oc2ccccc2)nc(C(C)C)n1
InChIInChI=1S/C16H17FN2O.C16H18.C15H16O.C14H12FN3O.C14H16N2O2.C14H16N2O.C14H15NO.C13H13FN2O/c1-10(2)16-18-14(11-6-7-11)9-15(19-16)20-13-5-3-4-12(17)8-13;1-13(2)16-10-6-9-15(12-16)11-14-7-4-3-5-8-14;1-12(2)13-7-6-10-15(11-13)16-14-8-4-3-5-9-14;1-9(2)14-17-11(8-16)7-13(18-14)19-12-5-3-4-10(15)6-12;1-10(2)14-15-12(17-3)9-13(16-14)18-11-7-5-4-6-8-11;1-10(2)14-15-11(3)9-13(16-14)17-12-7-5-4-6-8-12;1-11(2)12-6-5-7-13(10-12)16-14-8-3-4-9-15-14;1-9(2)12-7-15-8-13(16-12)17-11-5-3-4-10(14)6-11/h3-5,8-11H,6-7H2,1-2H3;3-10,12-13H,11H2,1-2H3;3-12H,1-2H3;3-7,9H,1-2H3;4-10H,1-3H3;4-10H,1-3H3;3-11H,1-2H3;3-9H,1-2H3
InChIKeyLHJJWGBICICMLE-UHFFFAOYSA-N
MW1870.33 g/mol
LogP31.45
Rot. Bonds26

About 1-benzyl-3-propan-2-ylbenzene;4-cyclopropyl-6-(3-fluorophenoxy)-2-propan-2-ylpyrimidine;2-(3-fluorophenoxy)-6-propan-2-ylpyrazine;6-(3-fluorophenoxy)-2-propan-2-ylpyrimidine-4-carbonitrile;4-methoxy-6-phenoxy-2-propan-2-ylpyrimidine;4-methyl-6-phenoxy-2-propan-2-ylpyrimidine;1-phenoxy-3-propan-2-ylbenzene;2-(3-propan-2-ylphenoxy)pyridine

1-benzyl-3-propan-2-ylbenzene;4-cyclopropyl-6-(3-fluorophenoxy)-2-propan-2-ylpyrimidine;2-(3-fluorophenoxy)-6-propan-2-ylpyrazine;6-(3-fluorophenoxy)-2-propan-2-ylpyrimidine-4-carbonitrile;4-methoxy-6-phenoxy-2-propan-2-ylpyrimidine;4-methyl-6-phenoxy-2-propan-2-ylpyrimidine;1-phenoxy-3-propan-2-ylbenzene;2-(3-propan-2-ylphenoxy)pyridine (PubChem CID 159351414) has the molecular formula C116H123F3N12O8 and a molecular weight of 1870.33 g/mol. Its IUPAC name is 1-benzyl-3-propan-2-ylbenzene;4-cyclopropyl-6-(3-fluorophenoxy)-2-propan-2-ylpyrimidine;2-(3-fluorophenoxy)-6-propan-2-ylpyrazine;6-(3-fluorophenoxy)-2-propan-2-ylpyrimidine-4-carbonitrile;4-methoxy-6-phenoxy-2-propan-2-ylpyrimidine;4-methyl-6-phenoxy-2-propan-2-ylpyrimidine;1-phenoxy-3-propan-2-ylbenzene;2-(3-propan-2-ylphenoxy)pyridine.

Molecular Properties

Compound Name1-benzyl-3-propan-2-ylbenzene;4-cyclopropyl-6-(3-fluorophenoxy)-2-propan-2-ylpyrimidine;2-(3-fluorophenoxy)-6-propan-2-ylpyrazine;6-(3-fluorophenoxy)-2-propan-2-ylpyrimidine-4-carbonitrile;4-methoxy-6-phenoxy-2-propan-2-ylpyrimidine;4-methyl-6-phenoxy-2-propan-2-ylpyrimidine;1-phenoxy-3-propan-2-ylbenzene;2-(3-propan-2-ylphenoxy)pyridine
PubChem CID159351414
Molecular FormulaC116H123F3N12O8
Molecular Weight1870.33 g/mol
Exact Mass1868.95
IUPAC Name1-benzyl-3-propan-2-ylbenzene;4-cyclopropyl-6-(3-fluorophenoxy)-2-propan-2-ylpyrimidine;2-(3-fluorophenoxy)-6-propan-2-ylpyrazine;6-(3-fluorophenoxy)-2-propan-2-ylpyrimidine-4-carbonitrile;4-methoxy-6-phenoxy-2-propan-2-ylpyrimidine;4-methyl-6-phenoxy-2-propan-2-ylpyrimidine;1-phenoxy-3-propan-2-ylbenzene;2-(3-propan-2-ylphenoxy)pyridine
SMILESCC(C)c1cccc(Cc2ccccc2)c1.CC(C)c1cccc(Oc2ccccc2)c1.CC(C)c1cccc(Oc2ccccn2)c1.CC(C)c1cncc(Oc2cccc(F)c2)n1.CC(C)c1nc(C#N)cc(Oc2cccc(F)c2)n1.CC(C)c1nc(Oc2cccc(F)c2)cc(C2CC2)n1.COc1cc(Oc2ccccc2)nc(C(C)C)n1.Cc1cc(Oc2ccccc2)nc(C(C)C)n1
InChIInChI=1S/C16H17FN2O.C16H18.C15H16O.C14H12FN3O.C14H16N2O2.C14H16N2O.C14H15NO.C13H13FN2O/c1-10(2)16-18-14(11-6-7-11)9-15(19-16)20-13-5-3-4-12(17)8-13;1-13(2)16-10-6-9-15(12-16)11-14-7-4-3-5-8-14;1-12(2)13-7-6-10-15(11-13)16-14-8-4-3-5-9-14;1-9(2)14-17-11(8-16)7-13(18-14)19-12-5-3-4-10(15)6-12;1-10(2)14-15-12(17-3)9-13(16-14)18-11-7-5-4-6-8-11;1-10(2)14-15-11(3)9-13(16-14)17-12-7-5-4-6-8-12;1-11(2)12-6-5-7-13(10-12)16-14-8-3-4-9-15-14;1-9(2)12-7-15-8-13(16-12)17-11-5-3-4-10(14)6-11/h3-5,8-11H,6-7H2,1-2H3;3-10,12-13H,11H2,1-2H3;3-12H,1-2H3;3-7,9H,1-2H3;4-10H,1-3H3;4-10H,1-3H3;3-11H,1-2H3;3-9H,1-2H3
InChIKeyLHJJWGBICICMLE-UHFFFAOYSA-N
XLogP31.45
TPSA239.42 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds26
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001870.33
LogP ≤ 531.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 1-benzyl-3-propan-2-ylbenzene;4-cyclopropyl-6-(3-fluorophenoxy)-2-propan-2-ylpyrimidine;2-(3-fluorophenoxy)-6-propan-2-ylpyrazine;6-(3-fluorophenoxy)-2-propan-2-ylpyrimidine-4-carbonitrile;4-methoxy-6-phenoxy-2-propan-2-ylpyrimidine;4-methyl-6-phenoxy-2-propan-2-ylpyrimidine;1-phenoxy-3-propan-2-ylbenzene;2-(3-propan-2-ylphenoxy)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-propan-2-ylbenzene;4-cyclopropyl-6-(3-fluorophenoxy)-2-propan-2-ylpyrimidine;2-(3-fluorophenoxy)-6-propan-2-ylpyrazine;6-(3-fluorophenoxy)-2-propan-2-ylpyrimidine-4-carbonitrile;4-methoxy-6-phenoxy-2-propan-2-ylpyrimidine;4-methyl-6-phenoxy-2-propan-2-ylpyrimidine;1-phenoxy-3-propan-2-ylbenzene;2-(3-propan-2-ylphenoxy)pyridine?
The IUPAC name of 1-benzyl-3-propan-2-ylbenzene;4-cyclopropyl-6-(3-fluorophenoxy)-2-propan-2-ylpyrimidine;2-(3-fluorophenoxy)-6-propan-2-ylpyrazine;6-(3-fluorophenoxy)-2-propan-2-ylpyrimidine-4-carbonitrile;4-methoxy-6-phenoxy-2-propan-2-ylpyrimidine;4-methyl-6-phenoxy-2-propan-2-ylpyrimidine;1-phenoxy-3-propan-2-ylbenzene;2-(3-propan-2-ylphenoxy)pyridine (CID 159351414) is 1-benzyl-3-propan-2-ylbenzene;4-cyclopropyl-6-(3-fluorophenoxy)-2-propan-2-ylpyrimidine;2-(3-fluorophenoxy)-6-propan-2-ylpyrazine;6-(3-fluorophenoxy)-2-propan-2-ylpyrimidine-4-carbonitrile;4-methoxy-6-phenoxy-2-propan-2-ylpyrimidine;4-methyl-6-phenoxy-2-propan-2-ylpyrimidine;1-phenoxy-3-propan-2-ylbenzene;2-(3-propan-2-ylphenoxy)pyridine.
What is the SMILES notation for 1-benzyl-3-propan-2-ylbenzene;4-cyclopropyl-6-(3-fluorophenoxy)-2-propan-2-ylpyrimidine;2-(3-fluorophenoxy)-6-propan-2-ylpyrazine;6-(3-fluorophenoxy)-2-propan-2-ylpyrimidine-4-carbonitrile;4-methoxy-6-phenoxy-2-propan-2-ylpyrimidine;4-methyl-6-phenoxy-2-propan-2-ylpyrimidine;1-phenoxy-3-propan-2-ylbenzene;2-(3-propan-2-ylphenoxy)pyridine?
The canonical SMILES for 1-benzyl-3-propan-2-ylbenzene;4-cyclopropyl-6-(3-fluorophenoxy)-2-propan-2-ylpyrimidine;2-(3-fluorophenoxy)-6-propan-2-ylpyrazine;6-(3-fluorophenoxy)-2-propan-2-ylpyrimidine-4-carbonitrile;4-methoxy-6-phenoxy-2-propan-2-ylpyrimidine;4-methyl-6-phenoxy-2-propan-2-ylpyrimidine;1-phenoxy-3-propan-2-ylbenzene;2-(3-propan-2-ylphenoxy)pyridine is CC(C)c1cccc(Cc2ccccc2)c1.CC(C)c1cccc(Oc2ccccc2)c1.CC(C)c1cccc(Oc2ccccn2)c1.CC(C)c1cncc(Oc2cccc(F)c2)n1.CC(C)c1nc(C#N)cc(Oc2cccc(F)c2)n1.CC(C)c1nc(Oc2cccc(F)c2)cc(C2CC2)n1.COc1cc(Oc2ccccc2)nc(C(C)C)n1.Cc1cc(Oc2ccccc2)nc(C(C)C)n1.
What is the InChIKey of 1-benzyl-3-propan-2-ylbenzene;4-cyclopropyl-6-(3-fluorophenoxy)-2-propan-2-ylpyrimidine;2-(3-fluorophenoxy)-6-propan-2-ylpyrazine;6-(3-fluorophenoxy)-2-propan-2-ylpyrimidine-4-carbonitrile;4-methoxy-6-phenoxy-2-propan-2-ylpyrimidine;4-methyl-6-phenoxy-2-propan-2-ylpyrimidine;1-phenoxy-3-propan-2-ylbenzene;2-(3-propan-2-ylphenoxy)pyridine?
The InChIKey is LHJJWGBICICMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O.C16H18.C15H16O.C14H12FN3O.C14H16N2O2.C14H16N2O.C14H15NO.C13H13FN2O/c1-10(2)16-18-14(11-6-7-11)9-15(19-16)20-13-5-3-4-12(17)8-13;1-13(2)16-10-6-9-15(12-16)11-14-7-4-3-5-8-14;1-12(2)13-7-6-10-15(11-13)16-14-8-4-3-5-9-14;1-9(2)14-17-11(8-16)7-13(18-14)19-12-5-3-4-10(15)6-12;1-10(2)14-15-12(17-3)9-13(16-14)18-11-7-5-4-6-8-11;1-10(2)14-15-11(3)9-13(16-14)17-12-7-5-4-6-8-12;1-11(2)12-6-5-7-13(10-12)16-14-8-3-4-9-15-14;1-9(2)12-7-15-8-13(16-12)17-11-5-3-4-10(14)6-11/h3-5,8-11H,6-7H2,1-2H3;3-10,12-13H,11H2,1-2H3;3-12H,1-2H3;3-7,9H,1-2H3;4-10H,1-3H3;4-10H,1-3H3;3-11H,1-2H3;3-9H,1-2H3.
What are the key properties of 1-benzyl-3-propan-2-ylbenzene;4-cyclopropyl-6-(3-fluorophenoxy)-2-propan-2-ylpyrimidine;2-(3-fluorophenoxy)-6-propan-2-ylpyrazine;6-(3-fluorophenoxy)-2-propan-2-ylpyrimidine-4-carbonitrile;4-methoxy-6-phenoxy-2-propan-2-ylpyrimidine;4-methyl-6-phenoxy-2-propan-2-ylpyrimidine;1-phenoxy-3-propan-2-ylbenzene;2-(3-propan-2-ylphenoxy)pyridine?
1-benzyl-3-propan-2-ylbenzene;4-cyclopropyl-6-(3-fluorophenoxy)-2-propan-2-ylpyrimidine;2-(3-fluorophenoxy)-6-propan-2-ylpyrazine;6-(3-fluorophenoxy)-2-propan-2-ylpyrimidine-4-carbonitrile;4-methoxy-6-phenoxy-2-propan-2-ylpyrimidine;4-methyl-6-phenoxy-2-propan-2-ylpyrimidine;1-phenoxy-3-propan-2-ylbenzene;2-(3-propan-2-ylphenoxy)pyridine has a molecular weight of 1870.33 g/mol, XLogP of 31.45, 26 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-propan-2-ylbenzene;4-cyclopropyl-6-(3-fluorophenoxy)-2-propan-2-ylpyrimidine;2-(3-fluorophenoxy)-6-propan-2-ylpyrazine;6-(3-fluorophenoxy)-2-propan-2-ylpyrimidine-4-carbonitrile;4-methoxy-6-phenoxy-2-propan-2-ylpyrimidine;4-methyl-6-phenoxy-2-propan-2-ylpyrimidine;1-phenoxy-3-propan-2-ylbenzene;2-(3-propan-2-ylphenoxy)pyridine is sourced from PubChem (CID 159351414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).