1-fluoro-3-[(2-methylpropan-2-yl)oxy]benzene;methane;1-methoxy-4-[(2-methylpropan-2-yl)oxy]benzene;1-methyl-3-[(2-methylpropan-2-yl)oxy]benzene;tris(1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene);(2-methylpropan-2-yl)oxybenzene;4-[(2-methylpropan-2-yl)oxy]benzonitrile;1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-one

C103H154FNO11 — CID 161076816

IUPAC1-fluoro-3-[(2-methylpropan-2-yl)oxy]benzene;methane;1-methoxy-4-[(2-methylpropan-2-yl)oxy]benzene;1-methyl-3-[(2-methylpropan-2-yl)oxy]benzene;tris(1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene);(2-methylpropan-2-yl)oxybenzene;4-[(2-methylpropan-2-yl)oxy]benzonitrile;1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-one
SMILESC.C.C.C.CC(=O)Cc1ccc(OC(C)(C)C)cc1.CC(C)(C)Oc1ccc(C#N)cc1.CC(C)(C)Oc1cccc(F)c1.CC(C)(C)Oc1ccccc1.COc1ccc(OC(C)(C)C)cc1.Cc1ccc(OC(C)(C)C)cc1.Cc1ccc(OC(C)(C)C)cc1.Cc1ccc(OC(C)(C)C)cc1.Cc1cccc(OC(C)(C)C)c1
InChIInChI=1S/C13H18O2.C11H13NO.C11H16O2.4C11H16O.C10H13FO.C10H14O.4CH4/c1-10(14)9-11-5-7-12(8-6-11)15-13(2,3)4;1-11(2,3)13-10-6-4-9(8-12)5-7-10;1-11(2,3)13-10-7-5-9(12-4)6-8-10;3*1-9-5-7-10(8-6-9)12-11(2,3)4;1-9-6-5-7-10(8-9)12-11(2,3)4;1-10(2,3)12-9-6-4-5-8(11)7-9;1-10(2,3)11-9-7-5-4-6-8-9;;;;/h5-8H,9H2,1-4H3;4-7H,1-3H3;5-8H,1-4H3;4*5-8H,1-4H3;4-7H,1-3H3;4-8H,1-3H3;4*1H4
InChIKeyUFJSRLNDQNNWAU-UHFFFAOYSA-N
MW1601.36 g/mol
LogP29.70
Rot. Bonds12

About 1-fluoro-3-[(2-methylpropan-2-yl)oxy]benzene;methane;1-methoxy-4-[(2-methylpropan-2-yl)oxy]benzene;1-methyl-3-[(2-methylpropan-2-yl)oxy]benzene;tris(1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene);(2-methylpropan-2-yl)oxybenzene;4-[(2-methylpropan-2-yl)oxy]benzonitrile;1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-one

1-fluoro-3-[(2-methylpropan-2-yl)oxy]benzene;methane;1-methoxy-4-[(2-methylpropan-2-yl)oxy]benzene;1-methyl-3-[(2-methylpropan-2-yl)oxy]benzene;tris(1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene);(2-methylpropan-2-yl)oxybenzene;4-[(2-methylpropan-2-yl)oxy]benzonitrile;1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-one (PubChem CID 161076816) has the molecular formula C103H154FNO11 and a molecular weight of 1601.36 g/mol. Its IUPAC name is 1-fluoro-3-[(2-methylpropan-2-yl)oxy]benzene;methane;1-methoxy-4-[(2-methylpropan-2-yl)oxy]benzene;1-methyl-3-[(2-methylpropan-2-yl)oxy]benzene;tris(1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene);(2-methylpropan-2-yl)oxybenzene;4-[(2-methylpropan-2-yl)oxy]benzonitrile;1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-one.

Molecular Properties

Compound Name1-fluoro-3-[(2-methylpropan-2-yl)oxy]benzene;methane;1-methoxy-4-[(2-methylpropan-2-yl)oxy]benzene;1-methyl-3-[(2-methylpropan-2-yl)oxy]benzene;tris(1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene);(2-methylpropan-2-yl)oxybenzene;4-[(2-methylpropan-2-yl)oxy]benzonitrile;1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-one
PubChem CID161076816
Molecular FormulaC103H154FNO11
Molecular Weight1601.36 g/mol
Exact Mass1600.15
IUPAC Name1-fluoro-3-[(2-methylpropan-2-yl)oxy]benzene;methane;1-methoxy-4-[(2-methylpropan-2-yl)oxy]benzene;1-methyl-3-[(2-methylpropan-2-yl)oxy]benzene;tris(1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene);(2-methylpropan-2-yl)oxybenzene;4-[(2-methylpropan-2-yl)oxy]benzonitrile;1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-one
SMILESC.C.C.C.CC(=O)Cc1ccc(OC(C)(C)C)cc1.CC(C)(C)Oc1ccc(C#N)cc1.CC(C)(C)Oc1cccc(F)c1.CC(C)(C)Oc1ccccc1.COc1ccc(OC(C)(C)C)cc1.Cc1ccc(OC(C)(C)C)cc1.Cc1ccc(OC(C)(C)C)cc1.Cc1ccc(OC(C)(C)C)cc1.Cc1cccc(OC(C)(C)C)c1
InChIInChI=1S/C13H18O2.C11H13NO.C11H16O2.4C11H16O.C10H13FO.C10H14O.4CH4/c1-10(14)9-11-5-7-12(8-6-11)15-13(2,3)4;1-11(2,3)13-10-6-4-9(8-12)5-7-10;1-11(2,3)13-10-7-5-9(12-4)6-8-10;3*1-9-5-7-10(8-6-9)12-11(2,3)4;1-9-6-5-7-10(8-9)12-11(2,3)4;1-10(2,3)12-9-6-4-5-8(11)7-9;1-10(2,3)11-9-7-5-4-6-8-9;;;;/h5-8H,9H2,1-4H3;4-7H,1-3H3;5-8H,1-4H3;4*5-8H,1-4H3;4-7H,1-3H3;4-8H,1-3H3;4*1H4
InChIKeyUFJSRLNDQNNWAU-UHFFFAOYSA-N
XLogP29.70
TPSA133.16 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001601.36
LogP ≤ 529.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 1-fluoro-3-[(2-methylpropan-2-yl)oxy]benzene;methane;1-methoxy-4-[(2-methylpropan-2-yl)oxy]benzene;1-methyl-3-[(2-methylpropan-2-yl)oxy]benzene;tris(1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene);(2-methylpropan-2-yl)oxybenzene;4-[(2-methylpropan-2-yl)oxy]benzonitrile;1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-one with MolForge

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Related Compounds

1-fluoro-3-methyl-5-[(2-methylpropan-2-yl)oxy]benzene;1-methoxy-4-[(2-methylpropan-2-yl)oxy]benzene;1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene;(2-methylpropan-2-yl)oxybenzene
CID 158805724
4-fluoro-1-methyl-2-[(2-methylpropan-2-yl)oxy]benzene;1-fluoro-3-[(2-methylpropan-2-yl)oxy]benzene;1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene
CID 161463875
1-[3-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-one
CID 58044331
1-(4-methylphenyl)propan-2-one;toluene
CID 23164694
N'-[2-(3-fluorophenoxy)acetyl]-2-(4-methoxyphenyl)acetohydrazide
CID 2670452
4-fluoro-3-[[4-(2-oxopropyl)phenoxy]methyl]benzonitrile
CID 115495414
2-[(4-cyanophenyl)methyl-[(3-fluorophenyl)methyl]amino]-N-(4-methoxyphenyl)acetamide
CID 55986734
4-[4-[2-(3-methylphenoxy)ethoxy]phenyl]benzonitrile
CID 7670232
1-chloro-2-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;1-(1,1-difluoroethoxy)-4-(2-methylpropyl)benzene;methane;1-methoxy-4-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene;4-(2-methylpropyl)benzonitrile;2-methylpropylcyclopropane
CID 159794505
4-[(3-methylphenyl)methoxy]benzonitrile
CID 2226315
4-[3-(3-fluorophenoxy)propoxy]benzonitrile
CID 43289409
4-[3-(3-methylphenoxy)propoxy]benzonitrile
CID 43213922

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-[(2-methylpropan-2-yl)oxy]benzene;methane;1-methoxy-4-[(2-methylpropan-2-yl)oxy]benzene;1-methyl-3-[(2-methylpropan-2-yl)oxy]benzene;tris(1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene);(2-methylpropan-2-yl)oxybenzene;4-[(2-methylpropan-2-yl)oxy]benzonitrile;1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-one?
The IUPAC name of 1-fluoro-3-[(2-methylpropan-2-yl)oxy]benzene;methane;1-methoxy-4-[(2-methylpropan-2-yl)oxy]benzene;1-methyl-3-[(2-methylpropan-2-yl)oxy]benzene;tris(1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene);(2-methylpropan-2-yl)oxybenzene;4-[(2-methylpropan-2-yl)oxy]benzonitrile;1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-one (CID 161076816) is 1-fluoro-3-[(2-methylpropan-2-yl)oxy]benzene;methane;1-methoxy-4-[(2-methylpropan-2-yl)oxy]benzene;1-methyl-3-[(2-methylpropan-2-yl)oxy]benzene;tris(1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene);(2-methylpropan-2-yl)oxybenzene;4-[(2-methylpropan-2-yl)oxy]benzonitrile;1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-one.
What is the SMILES notation for 1-fluoro-3-[(2-methylpropan-2-yl)oxy]benzene;methane;1-methoxy-4-[(2-methylpropan-2-yl)oxy]benzene;1-methyl-3-[(2-methylpropan-2-yl)oxy]benzene;tris(1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene);(2-methylpropan-2-yl)oxybenzene;4-[(2-methylpropan-2-yl)oxy]benzonitrile;1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-one?
The canonical SMILES for 1-fluoro-3-[(2-methylpropan-2-yl)oxy]benzene;methane;1-methoxy-4-[(2-methylpropan-2-yl)oxy]benzene;1-methyl-3-[(2-methylpropan-2-yl)oxy]benzene;tris(1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene);(2-methylpropan-2-yl)oxybenzene;4-[(2-methylpropan-2-yl)oxy]benzonitrile;1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-one is C.C.C.C.CC(=O)Cc1ccc(OC(C)(C)C)cc1.CC(C)(C)Oc1ccc(C#N)cc1.CC(C)(C)Oc1cccc(F)c1.CC(C)(C)Oc1ccccc1.COc1ccc(OC(C)(C)C)cc1.Cc1ccc(OC(C)(C)C)cc1.Cc1ccc(OC(C)(C)C)cc1.Cc1ccc(OC(C)(C)C)cc1.Cc1cccc(OC(C)(C)C)c1.
What is the InChIKey of 1-fluoro-3-[(2-methylpropan-2-yl)oxy]benzene;methane;1-methoxy-4-[(2-methylpropan-2-yl)oxy]benzene;1-methyl-3-[(2-methylpropan-2-yl)oxy]benzene;tris(1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene);(2-methylpropan-2-yl)oxybenzene;4-[(2-methylpropan-2-yl)oxy]benzonitrile;1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-one?
The InChIKey is UFJSRLNDQNNWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2.C11H13NO.C11H16O2.4C11H16O.C10H13FO.C10H14O.4CH4/c1-10(14)9-11-5-7-12(8-6-11)15-13(2,3)4;1-11(2,3)13-10-6-4-9(8-12)5-7-10;1-11(2,3)13-10-7-5-9(12-4)6-8-10;3*1-9-5-7-10(8-6-9)12-11(2,3)4;1-9-6-5-7-10(8-9)12-11(2,3)4;1-10(2,3)12-9-6-4-5-8(11)7-9;1-10(2,3)11-9-7-5-4-6-8-9;;;;/h5-8H,9H2,1-4H3;4-7H,1-3H3;5-8H,1-4H3;4*5-8H,1-4H3;4-7H,1-3H3;4-8H,1-3H3;4*1H4.
What are the key properties of 1-fluoro-3-[(2-methylpropan-2-yl)oxy]benzene;methane;1-methoxy-4-[(2-methylpropan-2-yl)oxy]benzene;1-methyl-3-[(2-methylpropan-2-yl)oxy]benzene;tris(1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene);(2-methylpropan-2-yl)oxybenzene;4-[(2-methylpropan-2-yl)oxy]benzonitrile;1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-one?
1-fluoro-3-[(2-methylpropan-2-yl)oxy]benzene;methane;1-methoxy-4-[(2-methylpropan-2-yl)oxy]benzene;1-methyl-3-[(2-methylpropan-2-yl)oxy]benzene;tris(1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene);(2-methylpropan-2-yl)oxybenzene;4-[(2-methylpropan-2-yl)oxy]benzonitrile;1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-one has a molecular weight of 1601.36 g/mol, XLogP of 29.70, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-[(2-methylpropan-2-yl)oxy]benzene;methane;1-methoxy-4-[(2-methylpropan-2-yl)oxy]benzene;1-methyl-3-[(2-methylpropan-2-yl)oxy]benzene;tris(1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene);(2-methylpropan-2-yl)oxybenzene;4-[(2-methylpropan-2-yl)oxy]benzonitrile;1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-one is sourced from PubChem (CID 161076816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).