cumene;1-fluoro-2-methyl-4-(3-propan-2-ylphenyl)benzene;4-fluoro-2-methyl-1-(3-propan-2-ylphenyl)benzene;1-fluoro-3-(3-propan-2-ylphenyl)benzene;3-fluoro-5-(3-propan-2-ylphenyl)pyridine;1-methoxy-3-(3-propan-2-ylphenyl)benzene;5-methyl-1-phenyl-4-(3-propan-2-ylphenyl)pyrazole;1-methyl-4-propan-2-ylbenzene;1-methyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-4-[4-(3-propan-2-ylphenyl)-2-pyridinyl]piperazine;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene

C163H188F4N6O — CID 157243037

IUPACcumene;1-fluoro-2-methyl-4-(3-propan-2-ylphenyl)benzene;4-fluoro-2-methyl-1-(3-propan-2-ylphenyl)benzene;1-fluoro-3-(3-propan-2-ylphenyl)benzene;3-fluoro-5-(3-propan-2-ylphenyl)pyridine;1-methoxy-3-(3-propan-2-ylphenyl)benzene;5-methyl-1-phenyl-4-(3-propan-2-ylphenyl)pyrazole;1-methyl-4-propan-2-ylbenzene;1-methyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-4-[4-(3-propan-2-ylphenyl)-2-pyridinyl]piperazine;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
SMILESCC(C)c1ccc2c(c1)CCCC2.CC(C)c1cccc(-c2cccc(F)c2)c1.CC(C)c1cccc(-c2ccnc(N3CCN(C)CC3)c2)c1.CC(C)c1cccc(-c2cncc(F)c2)c1.CC(C)c1ccccc1.COc1cccc(-c2cccc(C(C)C)c2)c1.Cc1c(-c2cccc(C(C)C)c2)cnn1-c1ccccc1.Cc1cc(-c2cccc(C(C)C)c2)ccc1F.Cc1cc(F)ccc1-c1cccc(C(C)C)c1.Cc1ccc(-c2cccc(C(C)C)c2)cc1.Cc1ccc(C(C)C)cc1
InChIInChI=1S/C19H25N3.C19H20N2.2C16H17F.C16H18O.C16H18.C15H15F.C14H14FN.C13H18.C10H14.C9H12/c1-15(2)16-5-4-6-17(13-16)18-7-8-20-19(14-18)22-11-9-21(3)10-12-22;1-14(2)16-8-7-9-17(12-16)19-13-20-21(15(19)3)18-10-5-4-6-11-18;1-11(2)13-5-4-6-14(10-13)16-8-7-15(17)9-12(16)3;1-11(2)13-5-4-6-14(10-13)15-7-8-16(17)12(3)9-15;1-12(2)13-6-4-7-14(10-13)15-8-5-9-16(11-15)17-3;1-12(2)15-5-4-6-16(11-15)14-9-7-13(3)8-10-14;1-11(2)12-5-3-6-13(9-12)14-7-4-8-15(16)10-14;1-10(2)11-4-3-5-12(6-11)13-7-14(15)9-16-8-13;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-8(2)10-6-4-9(3)5-7-10;1-8(2)9-6-4-3-5-7-9/h4-8,13-15H,9-12H2,1-3H3;4-14H,1-3H3;2*4-11H,1-3H3;4-12H,1-3H3;4-12H,1-3H3;3-11H,1-2H3;3-10H,1-2H3;7-10H,3-6H2,1-2H3;4-8H,1-3H3;3-8H,1-2H3
InChIKeyAVKVHDXPFKGICL-UHFFFAOYSA-N
MW2323.33 g/mol
LogP45.96
Rot. Bonds22

About cumene;1-fluoro-2-methyl-4-(3-propan-2-ylphenyl)benzene;4-fluoro-2-methyl-1-(3-propan-2-ylphenyl)benzene;1-fluoro-3-(3-propan-2-ylphenyl)benzene;3-fluoro-5-(3-propan-2-ylphenyl)pyridine;1-methoxy-3-(3-propan-2-ylphenyl)benzene;5-methyl-1-phenyl-4-(3-propan-2-ylphenyl)pyrazole;1-methyl-4-propan-2-ylbenzene;1-methyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-4-[4-(3-propan-2-ylphenyl)-2-pyridinyl]piperazine;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene

cumene;1-fluoro-2-methyl-4-(3-propan-2-ylphenyl)benzene;4-fluoro-2-methyl-1-(3-propan-2-ylphenyl)benzene;1-fluoro-3-(3-propan-2-ylphenyl)benzene;3-fluoro-5-(3-propan-2-ylphenyl)pyridine;1-methoxy-3-(3-propan-2-ylphenyl)benzene;5-methyl-1-phenyl-4-(3-propan-2-ylphenyl)pyrazole;1-methyl-4-propan-2-ylbenzene;1-methyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-4-[4-(3-propan-2-ylphenyl)-2-pyridinyl]piperazine;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene (PubChem CID 157243037) has the molecular formula C163H188F4N6O and a molecular weight of 2323.33 g/mol. Its IUPAC name is cumene;1-fluoro-2-methyl-4-(3-propan-2-ylphenyl)benzene;4-fluoro-2-methyl-1-(3-propan-2-ylphenyl)benzene;1-fluoro-3-(3-propan-2-ylphenyl)benzene;3-fluoro-5-(3-propan-2-ylphenyl)pyridine;1-methoxy-3-(3-propan-2-ylphenyl)benzene;5-methyl-1-phenyl-4-(3-propan-2-ylphenyl)pyrazole;1-methyl-4-propan-2-ylbenzene;1-methyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-4-[4-(3-propan-2-ylphenyl)-2-pyridinyl]piperazine;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Namecumene;1-fluoro-2-methyl-4-(3-propan-2-ylphenyl)benzene;4-fluoro-2-methyl-1-(3-propan-2-ylphenyl)benzene;1-fluoro-3-(3-propan-2-ylphenyl)benzene;3-fluoro-5-(3-propan-2-ylphenyl)pyridine;1-methoxy-3-(3-propan-2-ylphenyl)benzene;5-methyl-1-phenyl-4-(3-propan-2-ylphenyl)pyrazole;1-methyl-4-propan-2-ylbenzene;1-methyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-4-[4-(3-propan-2-ylphenyl)-2-pyridinyl]piperazine;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
PubChem CID157243037
Molecular FormulaC163H188F4N6O
Molecular Weight2323.33 g/mol
Exact Mass2321.48
IUPAC Namecumene;1-fluoro-2-methyl-4-(3-propan-2-ylphenyl)benzene;4-fluoro-2-methyl-1-(3-propan-2-ylphenyl)benzene;1-fluoro-3-(3-propan-2-ylphenyl)benzene;3-fluoro-5-(3-propan-2-ylphenyl)pyridine;1-methoxy-3-(3-propan-2-ylphenyl)benzene;5-methyl-1-phenyl-4-(3-propan-2-ylphenyl)pyrazole;1-methyl-4-propan-2-ylbenzene;1-methyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-4-[4-(3-propan-2-ylphenyl)-2-pyridinyl]piperazine;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
SMILESCC(C)c1ccc2c(c1)CCCC2.CC(C)c1cccc(-c2cccc(F)c2)c1.CC(C)c1cccc(-c2ccnc(N3CCN(C)CC3)c2)c1.CC(C)c1cccc(-c2cncc(F)c2)c1.CC(C)c1ccccc1.COc1cccc(-c2cccc(C(C)C)c2)c1.Cc1c(-c2cccc(C(C)C)c2)cnn1-c1ccccc1.Cc1cc(-c2cccc(C(C)C)c2)ccc1F.Cc1cc(F)ccc1-c1cccc(C(C)C)c1.Cc1ccc(-c2cccc(C(C)C)c2)cc1.Cc1ccc(C(C)C)cc1
InChIInChI=1S/C19H25N3.C19H20N2.2C16H17F.C16H18O.C16H18.C15H15F.C14H14FN.C13H18.C10H14.C9H12/c1-15(2)16-5-4-6-17(13-16)18-7-8-20-19(14-18)22-11-9-21(3)10-12-22;1-14(2)16-8-7-9-17(12-16)19-13-20-21(15(19)3)18-10-5-4-6-11-18;1-11(2)13-5-4-6-14(10-13)16-8-7-15(17)9-12(16)3;1-11(2)13-5-4-6-14(10-13)15-7-8-16(17)12(3)9-15;1-12(2)13-6-4-7-14(10-13)15-8-5-9-16(11-15)17-3;1-12(2)15-5-4-6-16(11-15)14-9-7-13(3)8-10-14;1-11(2)12-5-3-6-13(9-12)14-7-4-8-15(16)10-14;1-10(2)11-4-3-5-12(6-11)13-7-14(15)9-16-8-13;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-8(2)10-6-4-9(3)5-7-10;1-8(2)9-6-4-3-5-7-9/h4-8,13-15H,9-12H2,1-3H3;4-14H,1-3H3;2*4-11H,1-3H3;4-12H,1-3H3;4-12H,1-3H3;3-11H,1-2H3;3-10H,1-2H3;7-10H,3-6H2,1-2H3;4-8H,1-3H3;3-8H,1-2H3
InChIKeyAVKVHDXPFKGICL-UHFFFAOYSA-N
XLogP45.96
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds22
Heavy Atoms174
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002323.33
LogP ≤ 545.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze cumene;1-fluoro-2-methyl-4-(3-propan-2-ylphenyl)benzene;4-fluoro-2-methyl-1-(3-propan-2-ylphenyl)benzene;1-fluoro-3-(3-propan-2-ylphenyl)benzene;3-fluoro-5-(3-propan-2-ylphenyl)pyridine;1-methoxy-3-(3-propan-2-ylphenyl)benzene;5-methyl-1-phenyl-4-(3-propan-2-ylphenyl)pyrazole;1-methyl-4-propan-2-ylbenzene;1-methyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-4-[4-(3-propan-2-ylphenyl)-2-pyridinyl]piperazine;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene with MolForge

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Launch Full Analysis

Related Compounds

2-(6-Methoxynaphthalen-1-yl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 127034761
N-[3,5-bis(trifluoromethyl)phenyl]-4-[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]piperazine-1-carboxamide
CID 168275733
4-[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 168275936
4-[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]-N-phenylpiperazine-1-carboxamide
CID 168276456
N-(4-fluorophenyl)-4-[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]piperazine-1-carboxamide
CID 168281964
N-[3-[3-[3-fluoro-5-methoxy-4-[(1H-pyrazol-5-ylmethylamino)methyl]phenyl]-2-methylphenyl]-2-methylphenyl]pyrido[3,4-b]pyrazin-5-amine
CID 155379525
7-[3-(4-Methoxyphenyl)piperidin-1-yl]-5-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 137659580
1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]-4-(6-methyl-2-pyridinyl)piperazine
CID 28078503
2-(4-{[3-(2-fluoro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methyl}-1-piperazinyl)pyrazine
CID 42192620
2-(3-Methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine
CID 53333602
3-[2-(2,5-Dimethylphenoxy)pyrimidin-4-yl]-2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine
CID 17962378
2-(2,3-Difluoro-phenyl)-5-(4'-methoxy-2'-trifluoromethyl-biphenyl-4-ylmethyl)-5H-imidazo[4,5-d]pyridazine
CID 44217424

Frequently Asked Questions

What is the IUPAC name of cumene;1-fluoro-2-methyl-4-(3-propan-2-ylphenyl)benzene;4-fluoro-2-methyl-1-(3-propan-2-ylphenyl)benzene;1-fluoro-3-(3-propan-2-ylphenyl)benzene;3-fluoro-5-(3-propan-2-ylphenyl)pyridine;1-methoxy-3-(3-propan-2-ylphenyl)benzene;5-methyl-1-phenyl-4-(3-propan-2-ylphenyl)pyrazole;1-methyl-4-propan-2-ylbenzene;1-methyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-4-[4-(3-propan-2-ylphenyl)-2-pyridinyl]piperazine;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of cumene;1-fluoro-2-methyl-4-(3-propan-2-ylphenyl)benzene;4-fluoro-2-methyl-1-(3-propan-2-ylphenyl)benzene;1-fluoro-3-(3-propan-2-ylphenyl)benzene;3-fluoro-5-(3-propan-2-ylphenyl)pyridine;1-methoxy-3-(3-propan-2-ylphenyl)benzene;5-methyl-1-phenyl-4-(3-propan-2-ylphenyl)pyrazole;1-methyl-4-propan-2-ylbenzene;1-methyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-4-[4-(3-propan-2-ylphenyl)-2-pyridinyl]piperazine;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene (CID 157243037) is cumene;1-fluoro-2-methyl-4-(3-propan-2-ylphenyl)benzene;4-fluoro-2-methyl-1-(3-propan-2-ylphenyl)benzene;1-fluoro-3-(3-propan-2-ylphenyl)benzene;3-fluoro-5-(3-propan-2-ylphenyl)pyridine;1-methoxy-3-(3-propan-2-ylphenyl)benzene;5-methyl-1-phenyl-4-(3-propan-2-ylphenyl)pyrazole;1-methyl-4-propan-2-ylbenzene;1-methyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-4-[4-(3-propan-2-ylphenyl)-2-pyridinyl]piperazine;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for cumene;1-fluoro-2-methyl-4-(3-propan-2-ylphenyl)benzene;4-fluoro-2-methyl-1-(3-propan-2-ylphenyl)benzene;1-fluoro-3-(3-propan-2-ylphenyl)benzene;3-fluoro-5-(3-propan-2-ylphenyl)pyridine;1-methoxy-3-(3-propan-2-ylphenyl)benzene;5-methyl-1-phenyl-4-(3-propan-2-ylphenyl)pyrazole;1-methyl-4-propan-2-ylbenzene;1-methyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-4-[4-(3-propan-2-ylphenyl)-2-pyridinyl]piperazine;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for cumene;1-fluoro-2-methyl-4-(3-propan-2-ylphenyl)benzene;4-fluoro-2-methyl-1-(3-propan-2-ylphenyl)benzene;1-fluoro-3-(3-propan-2-ylphenyl)benzene;3-fluoro-5-(3-propan-2-ylphenyl)pyridine;1-methoxy-3-(3-propan-2-ylphenyl)benzene;5-methyl-1-phenyl-4-(3-propan-2-ylphenyl)pyrazole;1-methyl-4-propan-2-ylbenzene;1-methyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-4-[4-(3-propan-2-ylphenyl)-2-pyridinyl]piperazine;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene is CC(C)c1ccc2c(c1)CCCC2.CC(C)c1cccc(-c2cccc(F)c2)c1.CC(C)c1cccc(-c2ccnc(N3CCN(C)CC3)c2)c1.CC(C)c1cccc(-c2cncc(F)c2)c1.CC(C)c1ccccc1.COc1cccc(-c2cccc(C(C)C)c2)c1.Cc1c(-c2cccc(C(C)C)c2)cnn1-c1ccccc1.Cc1cc(-c2cccc(C(C)C)c2)ccc1F.Cc1cc(F)ccc1-c1cccc(C(C)C)c1.Cc1ccc(-c2cccc(C(C)C)c2)cc1.Cc1ccc(C(C)C)cc1.
What is the InChIKey of cumene;1-fluoro-2-methyl-4-(3-propan-2-ylphenyl)benzene;4-fluoro-2-methyl-1-(3-propan-2-ylphenyl)benzene;1-fluoro-3-(3-propan-2-ylphenyl)benzene;3-fluoro-5-(3-propan-2-ylphenyl)pyridine;1-methoxy-3-(3-propan-2-ylphenyl)benzene;5-methyl-1-phenyl-4-(3-propan-2-ylphenyl)pyrazole;1-methyl-4-propan-2-ylbenzene;1-methyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-4-[4-(3-propan-2-ylphenyl)-2-pyridinyl]piperazine;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is AVKVHDXPFKGICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3.C19H20N2.2C16H17F.C16H18O.C16H18.C15H15F.C14H14FN.C13H18.C10H14.C9H12/c1-15(2)16-5-4-6-17(13-16)18-7-8-20-19(14-18)22-11-9-21(3)10-12-22;1-14(2)16-8-7-9-17(12-16)19-13-20-21(15(19)3)18-10-5-4-6-11-18;1-11(2)13-5-4-6-14(10-13)16-8-7-15(17)9-12(16)3;1-11(2)13-5-4-6-14(10-13)15-7-8-16(17)12(3)9-15;1-12(2)13-6-4-7-14(10-13)15-8-5-9-16(11-15)17-3;1-12(2)15-5-4-6-16(11-15)14-9-7-13(3)8-10-14;1-11(2)12-5-3-6-13(9-12)14-7-4-8-15(16)10-14;1-10(2)11-4-3-5-12(6-11)13-7-14(15)9-16-8-13;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-8(2)10-6-4-9(3)5-7-10;1-8(2)9-6-4-3-5-7-9/h4-8,13-15H,9-12H2,1-3H3;4-14H,1-3H3;2*4-11H,1-3H3;4-12H,1-3H3;4-12H,1-3H3;3-11H,1-2H3;3-10H,1-2H3;7-10H,3-6H2,1-2H3;4-8H,1-3H3;3-8H,1-2H3.
What are the key properties of cumene;1-fluoro-2-methyl-4-(3-propan-2-ylphenyl)benzene;4-fluoro-2-methyl-1-(3-propan-2-ylphenyl)benzene;1-fluoro-3-(3-propan-2-ylphenyl)benzene;3-fluoro-5-(3-propan-2-ylphenyl)pyridine;1-methoxy-3-(3-propan-2-ylphenyl)benzene;5-methyl-1-phenyl-4-(3-propan-2-ylphenyl)pyrazole;1-methyl-4-propan-2-ylbenzene;1-methyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-4-[4-(3-propan-2-ylphenyl)-2-pyridinyl]piperazine;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene?
cumene;1-fluoro-2-methyl-4-(3-propan-2-ylphenyl)benzene;4-fluoro-2-methyl-1-(3-propan-2-ylphenyl)benzene;1-fluoro-3-(3-propan-2-ylphenyl)benzene;3-fluoro-5-(3-propan-2-ylphenyl)pyridine;1-methoxy-3-(3-propan-2-ylphenyl)benzene;5-methyl-1-phenyl-4-(3-propan-2-ylphenyl)pyrazole;1-methyl-4-propan-2-ylbenzene;1-methyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-4-[4-(3-propan-2-ylphenyl)-2-pyridinyl]piperazine;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 2323.33 g/mol, XLogP of 45.96, 22 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;1-fluoro-2-methyl-4-(3-propan-2-ylphenyl)benzene;4-fluoro-2-methyl-1-(3-propan-2-ylphenyl)benzene;1-fluoro-3-(3-propan-2-ylphenyl)benzene;3-fluoro-5-(3-propan-2-ylphenyl)pyridine;1-methoxy-3-(3-propan-2-ylphenyl)benzene;5-methyl-1-phenyl-4-(3-propan-2-ylphenyl)pyrazole;1-methyl-4-propan-2-ylbenzene;1-methyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-4-[4-(3-propan-2-ylphenyl)-2-pyridinyl]piperazine;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 157243037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).