1-fluoro-3-methyl-5-propan-2-ylbenzene;(2-fluoro-6-methyl-4-propan-2-ylphenyl)methanol;1-methyl-3-propan-2-ylbenzene;(2-methyl-4-propan-2-ylphenyl)methanol;3-methyl-5-propan-2-ylpyridine

C51H71F2NO2 — CID 158704802

IUPAC1-fluoro-3-methyl-5-propan-2-ylbenzene;(2-fluoro-6-methyl-4-propan-2-ylphenyl)methanol;1-methyl-3-propan-2-ylbenzene;(2-methyl-4-propan-2-ylphenyl)methanol;3-methyl-5-propan-2-ylpyridine
SMILESCc1cc(C(C)C)cc(F)c1CO.Cc1cc(C(C)C)ccc1CO.Cc1cc(F)cc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cncc(C(C)C)c1
InChIInChI=1S/C11H15FO.C11H16O.C10H13F.C10H14.C9H13N/c1-7(2)9-4-8(3)10(6-13)11(12)5-9;1-8(2)10-4-5-11(7-12)9(3)6-10;1-7(2)9-4-8(3)5-10(11)6-9;1-8(2)10-6-4-5-9(3)7-10;1-7(2)9-4-8(3)5-10-6-9/h4-5,7,13H,6H2,1-3H3;4-6,8,12H,7H2,1-3H3;4-7H,1-3H3;4-8H,1-3H3;4-7H,1-3H3
InChIKeyIHZDSVZZPBJZIU-UHFFFAOYSA-N
MW768.13 g/mol
LogP14.25
Rot. Bonds7

About 1-fluoro-3-methyl-5-propan-2-ylbenzene;(2-fluoro-6-methyl-4-propan-2-ylphenyl)methanol;1-methyl-3-propan-2-ylbenzene;(2-methyl-4-propan-2-ylphenyl)methanol;3-methyl-5-propan-2-ylpyridine

1-fluoro-3-methyl-5-propan-2-ylbenzene;(2-fluoro-6-methyl-4-propan-2-ylphenyl)methanol;1-methyl-3-propan-2-ylbenzene;(2-methyl-4-propan-2-ylphenyl)methanol;3-methyl-5-propan-2-ylpyridine (PubChem CID 158704802) has the molecular formula C51H71F2NO2 and a molecular weight of 768.13 g/mol. Its IUPAC name is 1-fluoro-3-methyl-5-propan-2-ylbenzene;(2-fluoro-6-methyl-4-propan-2-ylphenyl)methanol;1-methyl-3-propan-2-ylbenzene;(2-methyl-4-propan-2-ylphenyl)methanol;3-methyl-5-propan-2-ylpyridine.

Molecular Properties

Compound Name1-fluoro-3-methyl-5-propan-2-ylbenzene;(2-fluoro-6-methyl-4-propan-2-ylphenyl)methanol;1-methyl-3-propan-2-ylbenzene;(2-methyl-4-propan-2-ylphenyl)methanol;3-methyl-5-propan-2-ylpyridine
PubChem CID158704802
Molecular FormulaC51H71F2NO2
Molecular Weight768.13 g/mol
Exact Mass767.55
IUPAC Name1-fluoro-3-methyl-5-propan-2-ylbenzene;(2-fluoro-6-methyl-4-propan-2-ylphenyl)methanol;1-methyl-3-propan-2-ylbenzene;(2-methyl-4-propan-2-ylphenyl)methanol;3-methyl-5-propan-2-ylpyridine
SMILESCc1cc(C(C)C)cc(F)c1CO.Cc1cc(C(C)C)ccc1CO.Cc1cc(F)cc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cncc(C(C)C)c1
InChIInChI=1S/C11H15FO.C11H16O.C10H13F.C10H14.C9H13N/c1-7(2)9-4-8(3)10(6-13)11(12)5-9;1-8(2)10-4-5-11(7-12)9(3)6-10;1-7(2)9-4-8(3)5-10(11)6-9;1-8(2)10-6-4-5-9(3)7-10;1-7(2)9-4-8(3)5-10-6-9/h4-5,7,13H,6H2,1-3H3;4-6,8,12H,7H2,1-3H3;4-7H,1-3H3;4-8H,1-3H3;4-7H,1-3H3
InChIKeyIHZDSVZZPBJZIU-UHFFFAOYSA-N
XLogP14.25
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.13
LogP ≤ 514.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-fluoro-3-methyl-5-propan-2-ylbenzene;(2-fluoro-6-methyl-4-propan-2-ylphenyl)methanol;1-methyl-3-propan-2-ylbenzene;(2-methyl-4-propan-2-ylphenyl)methanol;3-methyl-5-propan-2-ylpyridine with MolForge

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Launch Full Analysis

Related Compounds

1-fluoro-2-(fluoromethyl)-3-methyl-5-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;(2-fluoro-6-methyl-4-propan-2-ylphenyl)methanol;methane;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;(2-methyl-4-propan-2-ylphenyl)methanol;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene;2-methyl-4-propan-2-ylthiophene 1,1-dioxide
CID 157067225
hydrogen peroxide;bis(1-methyl-3-propan-2-ylbenzene)
CID 172708535
ethane;1-methyl-3-propan-2-ylbenzene
CID 142020139
[2,6-dimethyl-4-(3-propan-2-ylphenyl)phenyl]methanol
CID 172876842
benzene;ethane;1-methyl-3-propan-2-ylbenzene
CID 143383161
ethane;bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene)
CID 158672688
1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1,2,3-trimethyl-5-propan-2-ylbenzene
CID 158783071
2-(4-bromo-2-fluorophenyl)-1-(5-methyl-3-pyridinyl)ethanol
CID 105089166
N-[(3-fluorophenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115374247
2-(2,5-difluorophenyl)-1-(5-methyl-3-pyridinyl)ethanol
CID 105081046
3-(2,4-difluorophenyl)-2-(3-methylphenyl)propan-1-ol
CID 79417400
methane;1-methyl-3-propan-2-ylbenzene;prop-1-yne
CID 144521771

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-methyl-5-propan-2-ylbenzene;(2-fluoro-6-methyl-4-propan-2-ylphenyl)methanol;1-methyl-3-propan-2-ylbenzene;(2-methyl-4-propan-2-ylphenyl)methanol;3-methyl-5-propan-2-ylpyridine?
The IUPAC name of 1-fluoro-3-methyl-5-propan-2-ylbenzene;(2-fluoro-6-methyl-4-propan-2-ylphenyl)methanol;1-methyl-3-propan-2-ylbenzene;(2-methyl-4-propan-2-ylphenyl)methanol;3-methyl-5-propan-2-ylpyridine (CID 158704802) is 1-fluoro-3-methyl-5-propan-2-ylbenzene;(2-fluoro-6-methyl-4-propan-2-ylphenyl)methanol;1-methyl-3-propan-2-ylbenzene;(2-methyl-4-propan-2-ylphenyl)methanol;3-methyl-5-propan-2-ylpyridine.
What is the SMILES notation for 1-fluoro-3-methyl-5-propan-2-ylbenzene;(2-fluoro-6-methyl-4-propan-2-ylphenyl)methanol;1-methyl-3-propan-2-ylbenzene;(2-methyl-4-propan-2-ylphenyl)methanol;3-methyl-5-propan-2-ylpyridine?
The canonical SMILES for 1-fluoro-3-methyl-5-propan-2-ylbenzene;(2-fluoro-6-methyl-4-propan-2-ylphenyl)methanol;1-methyl-3-propan-2-ylbenzene;(2-methyl-4-propan-2-ylphenyl)methanol;3-methyl-5-propan-2-ylpyridine is Cc1cc(C(C)C)cc(F)c1CO.Cc1cc(C(C)C)ccc1CO.Cc1cc(F)cc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cncc(C(C)C)c1.
What is the InChIKey of 1-fluoro-3-methyl-5-propan-2-ylbenzene;(2-fluoro-6-methyl-4-propan-2-ylphenyl)methanol;1-methyl-3-propan-2-ylbenzene;(2-methyl-4-propan-2-ylphenyl)methanol;3-methyl-5-propan-2-ylpyridine?
The InChIKey is IHZDSVZZPBJZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO.C11H16O.C10H13F.C10H14.C9H13N/c1-7(2)9-4-8(3)10(6-13)11(12)5-9;1-8(2)10-4-5-11(7-12)9(3)6-10;1-7(2)9-4-8(3)5-10(11)6-9;1-8(2)10-6-4-5-9(3)7-10;1-7(2)9-4-8(3)5-10-6-9/h4-5,7,13H,6H2,1-3H3;4-6,8,12H,7H2,1-3H3;4-7H,1-3H3;4-8H,1-3H3;4-7H,1-3H3.
What are the key properties of 1-fluoro-3-methyl-5-propan-2-ylbenzene;(2-fluoro-6-methyl-4-propan-2-ylphenyl)methanol;1-methyl-3-propan-2-ylbenzene;(2-methyl-4-propan-2-ylphenyl)methanol;3-methyl-5-propan-2-ylpyridine?
1-fluoro-3-methyl-5-propan-2-ylbenzene;(2-fluoro-6-methyl-4-propan-2-ylphenyl)methanol;1-methyl-3-propan-2-ylbenzene;(2-methyl-4-propan-2-ylphenyl)methanol;3-methyl-5-propan-2-ylpyridine has a molecular weight of 768.13 g/mol, XLogP of 14.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-methyl-5-propan-2-ylbenzene;(2-fluoro-6-methyl-4-propan-2-ylphenyl)methanol;1-methyl-3-propan-2-ylbenzene;(2-methyl-4-propan-2-ylphenyl)methanol;3-methyl-5-propan-2-ylpyridine is sourced from PubChem (CID 158704802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).