1,4-dimethoxy-2-propan-2-ylbenzene;2,4-dimethylpentane;N,N-dimethyl-2-propan-2-ylaniline;1-ethoxy-2-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;1-methoxy-4-methyl-2-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;2-methoxy-3-propan-2-ylpyridine;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylindole;propan-2-ylcyclopropane;1-(3-propan-2-ylphenyl)ethanone;1-propan-2-yl-2-propan-2-yloxybenzene;1-propan-2-yl-3-(trifluoromethyl)benzene

C153H224F3N3O9 — CID 159205942

IUPAC1,4-dimethoxy-2-propan-2-ylbenzene;2,4-dimethylpentane;N,N-dimethyl-2-propan-2-ylaniline;1-ethoxy-2-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;1-methoxy-4-methyl-2-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;2-methoxy-3-propan-2-ylpyridine;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylindole;propan-2-ylcyclopropane;1-(3-propan-2-ylphenyl)ethanone;1-propan-2-yl-2-propan-2-yloxybenzene;1-propan-2-yl-3-(trifluoromethyl)benzene
SMILESCC(=O)c1cccc(C(C)C)c1.CC(C)C1CC1.CC(C)CC(C)C.CC(C)Oc1ccccc1C(C)C.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1cccc2c1ccn2C.CC(C)c1ccccc1N(C)C.CCOc1ccc(C(C)C)cc1.CCOc1ccccc1C(C)C.COc1cc(C)ccc1C(C)C.COc1ccc(C)cc1C(C)C.COc1ccc(OC)c(C(C)C)c1.COc1ncccc1C(C)C.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1
InChIInChI=1S/C12H15N.C12H18O.C11H17N.C11H16O2.2C11H16O.C11H14O.2C11H16O.C10H11F3.2C10H14.C9H13NO.C7H16.C6H12/c1-9(2)10-5-4-6-12-11(10)7-8-13(12)3;1-9(2)11-7-5-6-8-12(11)13-10(3)4;1-9(2)10-7-5-6-8-11(10)12(3)4;1-8(2)10-7-9(12-3)5-6-11(10)13-4;1-8(2)10-7-9(3)5-6-11(10)12-4;1-8(2)10-6-5-9(3)7-11(10)12-4;1-8(2)10-5-4-6-11(7-10)9(3)12;1-4-12-11-7-5-10(6-8-11)9(2)3;1-4-12-11-8-6-5-7-10(11)9(2)3;1-7(2)8-4-3-5-9(6-8)10(11,12)13;2*1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-5-4-6-10-9(8)11-3;1-6(2)5-7(3)4;1-5(2)6-3-4-6/h4-9H,1-3H3;5-10H,1-4H3;5-9H,1-4H3;5-8H,1-4H3;2*5-8H,1-4H3;4-8H,1-3H3;2*5-9H,4H2,1-3H3;3-7H,1-2H3;2*4-8H,1-3H3;4-7H,1-3H3;6-7H,5H2,1-4H3;5-6H,3-4H2,1-2H3
InChIKeyKPWQODRYAARCIW-UHFFFAOYSA-N
MW2306.48 g/mol
LogP45.31
Rot. Bonds29

About 1,4-dimethoxy-2-propan-2-ylbenzene;2,4-dimethylpentane;N,N-dimethyl-2-propan-2-ylaniline;1-ethoxy-2-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;1-methoxy-4-methyl-2-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;2-methoxy-3-propan-2-ylpyridine;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylindole;propan-2-ylcyclopropane;1-(3-propan-2-ylphenyl)ethanone;1-propan-2-yl-2-propan-2-yloxybenzene;1-propan-2-yl-3-(trifluoromethyl)benzene

1,4-dimethoxy-2-propan-2-ylbenzene;2,4-dimethylpentane;N,N-dimethyl-2-propan-2-ylaniline;1-ethoxy-2-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;1-methoxy-4-methyl-2-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;2-methoxy-3-propan-2-ylpyridine;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylindole;propan-2-ylcyclopropane;1-(3-propan-2-ylphenyl)ethanone;1-propan-2-yl-2-propan-2-yloxybenzene;1-propan-2-yl-3-(trifluoromethyl)benzene (PubChem CID 159205942) has the molecular formula C153H224F3N3O9 and a molecular weight of 2306.48 g/mol. Its IUPAC name is 1,4-dimethoxy-2-propan-2-ylbenzene;2,4-dimethylpentane;N,N-dimethyl-2-propan-2-ylaniline;1-ethoxy-2-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;1-methoxy-4-methyl-2-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;2-methoxy-3-propan-2-ylpyridine;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylindole;propan-2-ylcyclopropane;1-(3-propan-2-ylphenyl)ethanone;1-propan-2-yl-2-propan-2-yloxybenzene;1-propan-2-yl-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1,4-dimethoxy-2-propan-2-ylbenzene;2,4-dimethylpentane;N,N-dimethyl-2-propan-2-ylaniline;1-ethoxy-2-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;1-methoxy-4-methyl-2-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;2-methoxy-3-propan-2-ylpyridine;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylindole;propan-2-ylcyclopropane;1-(3-propan-2-ylphenyl)ethanone;1-propan-2-yl-2-propan-2-yloxybenzene;1-propan-2-yl-3-(trifluoromethyl)benzene
PubChem CID159205942
Molecular FormulaC153H224F3N3O9
Molecular Weight2306.48 g/mol
Exact Mass2304.71
IUPAC Name1,4-dimethoxy-2-propan-2-ylbenzene;2,4-dimethylpentane;N,N-dimethyl-2-propan-2-ylaniline;1-ethoxy-2-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;1-methoxy-4-methyl-2-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;2-methoxy-3-propan-2-ylpyridine;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylindole;propan-2-ylcyclopropane;1-(3-propan-2-ylphenyl)ethanone;1-propan-2-yl-2-propan-2-yloxybenzene;1-propan-2-yl-3-(trifluoromethyl)benzene
SMILESCC(=O)c1cccc(C(C)C)c1.CC(C)C1CC1.CC(C)CC(C)C.CC(C)Oc1ccccc1C(C)C.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1cccc2c1ccn2C.CC(C)c1ccccc1N(C)C.CCOc1ccc(C(C)C)cc1.CCOc1ccccc1C(C)C.COc1cc(C)ccc1C(C)C.COc1ccc(C)cc1C(C)C.COc1ccc(OC)c(C(C)C)c1.COc1ncccc1C(C)C.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1
InChIInChI=1S/C12H15N.C12H18O.C11H17N.C11H16O2.2C11H16O.C11H14O.2C11H16O.C10H11F3.2C10H14.C9H13NO.C7H16.C6H12/c1-9(2)10-5-4-6-12-11(10)7-8-13(12)3;1-9(2)11-7-5-6-8-12(11)13-10(3)4;1-9(2)10-7-5-6-8-11(10)12(3)4;1-8(2)10-7-9(12-3)5-6-11(10)13-4;1-8(2)10-7-9(3)5-6-11(10)12-4;1-8(2)10-6-5-9(3)7-11(10)12-4;1-8(2)10-5-4-6-11(7-10)9(3)12;1-4-12-11-7-5-10(6-8-11)9(2)3;1-4-12-11-8-6-5-7-10(11)9(2)3;1-7(2)8-4-3-5-9(6-8)10(11,12)13;2*1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-5-4-6-10-9(8)11-3;1-6(2)5-7(3)4;1-5(2)6-3-4-6/h4-9H,1-3H3;5-10H,1-4H3;5-9H,1-4H3;5-8H,1-4H3;2*5-8H,1-4H3;4-8H,1-3H3;2*5-9H,4H2,1-3H3;3-7H,1-2H3;2*4-8H,1-3H3;4-7H,1-3H3;6-7H,5H2,1-4H3;5-6H,3-4H2,1-2H3
InChIKeyKPWQODRYAARCIW-UHFFFAOYSA-N
XLogP45.31
TPSA111.97 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds29
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002306.48
LogP ≤ 545.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 1,4-dimethoxy-2-propan-2-ylbenzene;2,4-dimethylpentane;N,N-dimethyl-2-propan-2-ylaniline;1-ethoxy-2-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;1-methoxy-4-methyl-2-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;2-methoxy-3-propan-2-ylpyridine;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylindole;propan-2-ylcyclopropane;1-(3-propan-2-ylphenyl)ethanone;1-propan-2-yl-2-propan-2-yloxybenzene;1-propan-2-yl-3-(trifluoromethyl)benzene with MolForge

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Related Compounds

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4-[7-Propan-2-yl-8-propan-2-yloxy-1-(pyridin-3-ylmethyl)-4,5-dihydrobenzo[g]indol-3-yl]benzoic acid
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4-[7-Phenyl-8-propan-2-yloxy-1-(pyridin-3-ylmethyl)-4,5-dihydrobenzo[g]indol-3-yl]benzoic acid
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2-[1-(3-Naphthalen-1-yloxypropyl)-3-[3-(trifluoromethyl)phenyl]indol-4-yl]benzoic acid
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3-[[3-[[6-[3-[(4-Methoxyphenyl)methoxy]phenyl]indol-1-yl]methyl]benzoyl]oxymethyl]benzoic acid
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6,7-Dimethyl-3-[4-[1-[3-(trifluoromethyl)phenyl]indole-3-carbonyl]piperazine-1-carbonyl]chromen-4-one
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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethoxy-2-propan-2-ylbenzene;2,4-dimethylpentane;N,N-dimethyl-2-propan-2-ylaniline;1-ethoxy-2-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;1-methoxy-4-methyl-2-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;2-methoxy-3-propan-2-ylpyridine;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylindole;propan-2-ylcyclopropane;1-(3-propan-2-ylphenyl)ethanone;1-propan-2-yl-2-propan-2-yloxybenzene;1-propan-2-yl-3-(trifluoromethyl)benzene?
The IUPAC name of 1,4-dimethoxy-2-propan-2-ylbenzene;2,4-dimethylpentane;N,N-dimethyl-2-propan-2-ylaniline;1-ethoxy-2-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;1-methoxy-4-methyl-2-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;2-methoxy-3-propan-2-ylpyridine;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylindole;propan-2-ylcyclopropane;1-(3-propan-2-ylphenyl)ethanone;1-propan-2-yl-2-propan-2-yloxybenzene;1-propan-2-yl-3-(trifluoromethyl)benzene (CID 159205942) is 1,4-dimethoxy-2-propan-2-ylbenzene;2,4-dimethylpentane;N,N-dimethyl-2-propan-2-ylaniline;1-ethoxy-2-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;1-methoxy-4-methyl-2-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;2-methoxy-3-propan-2-ylpyridine;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylindole;propan-2-ylcyclopropane;1-(3-propan-2-ylphenyl)ethanone;1-propan-2-yl-2-propan-2-yloxybenzene;1-propan-2-yl-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1,4-dimethoxy-2-propan-2-ylbenzene;2,4-dimethylpentane;N,N-dimethyl-2-propan-2-ylaniline;1-ethoxy-2-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;1-methoxy-4-methyl-2-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;2-methoxy-3-propan-2-ylpyridine;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylindole;propan-2-ylcyclopropane;1-(3-propan-2-ylphenyl)ethanone;1-propan-2-yl-2-propan-2-yloxybenzene;1-propan-2-yl-3-(trifluoromethyl)benzene?
The canonical SMILES for 1,4-dimethoxy-2-propan-2-ylbenzene;2,4-dimethylpentane;N,N-dimethyl-2-propan-2-ylaniline;1-ethoxy-2-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;1-methoxy-4-methyl-2-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;2-methoxy-3-propan-2-ylpyridine;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylindole;propan-2-ylcyclopropane;1-(3-propan-2-ylphenyl)ethanone;1-propan-2-yl-2-propan-2-yloxybenzene;1-propan-2-yl-3-(trifluoromethyl)benzene is CC(=O)c1cccc(C(C)C)c1.CC(C)C1CC1.CC(C)CC(C)C.CC(C)Oc1ccccc1C(C)C.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1cccc2c1ccn2C.CC(C)c1ccccc1N(C)C.CCOc1ccc(C(C)C)cc1.CCOc1ccccc1C(C)C.COc1cc(C)ccc1C(C)C.COc1ccc(C)cc1C(C)C.COc1ccc(OC)c(C(C)C)c1.COc1ncccc1C(C)C.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.
What is the InChIKey of 1,4-dimethoxy-2-propan-2-ylbenzene;2,4-dimethylpentane;N,N-dimethyl-2-propan-2-ylaniline;1-ethoxy-2-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;1-methoxy-4-methyl-2-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;2-methoxy-3-propan-2-ylpyridine;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylindole;propan-2-ylcyclopropane;1-(3-propan-2-ylphenyl)ethanone;1-propan-2-yl-2-propan-2-yloxybenzene;1-propan-2-yl-3-(trifluoromethyl)benzene?
The InChIKey is KPWQODRYAARCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N.C12H18O.C11H17N.C11H16O2.2C11H16O.C11H14O.2C11H16O.C10H11F3.2C10H14.C9H13NO.C7H16.C6H12/c1-9(2)10-5-4-6-12-11(10)7-8-13(12)3;1-9(2)11-7-5-6-8-12(11)13-10(3)4;1-9(2)10-7-5-6-8-11(10)12(3)4;1-8(2)10-7-9(12-3)5-6-11(10)13-4;1-8(2)10-7-9(3)5-6-11(10)12-4;1-8(2)10-6-5-9(3)7-11(10)12-4;1-8(2)10-5-4-6-11(7-10)9(3)12;1-4-12-11-7-5-10(6-8-11)9(2)3;1-4-12-11-8-6-5-7-10(11)9(2)3;1-7(2)8-4-3-5-9(6-8)10(11,12)13;2*1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-5-4-6-10-9(8)11-3;1-6(2)5-7(3)4;1-5(2)6-3-4-6/h4-9H,1-3H3;5-10H,1-4H3;5-9H,1-4H3;5-8H,1-4H3;2*5-8H,1-4H3;4-8H,1-3H3;2*5-9H,4H2,1-3H3;3-7H,1-2H3;2*4-8H,1-3H3;4-7H,1-3H3;6-7H,5H2,1-4H3;5-6H,3-4H2,1-2H3.
What are the key properties of 1,4-dimethoxy-2-propan-2-ylbenzene;2,4-dimethylpentane;N,N-dimethyl-2-propan-2-ylaniline;1-ethoxy-2-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;1-methoxy-4-methyl-2-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;2-methoxy-3-propan-2-ylpyridine;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylindole;propan-2-ylcyclopropane;1-(3-propan-2-ylphenyl)ethanone;1-propan-2-yl-2-propan-2-yloxybenzene;1-propan-2-yl-3-(trifluoromethyl)benzene?
1,4-dimethoxy-2-propan-2-ylbenzene;2,4-dimethylpentane;N,N-dimethyl-2-propan-2-ylaniline;1-ethoxy-2-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;1-methoxy-4-methyl-2-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;2-methoxy-3-propan-2-ylpyridine;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylindole;propan-2-ylcyclopropane;1-(3-propan-2-ylphenyl)ethanone;1-propan-2-yl-2-propan-2-yloxybenzene;1-propan-2-yl-3-(trifluoromethyl)benzene has a molecular weight of 2306.48 g/mol, XLogP of 45.31, 29 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethoxy-2-propan-2-ylbenzene;2,4-dimethylpentane;N,N-dimethyl-2-propan-2-ylaniline;1-ethoxy-2-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;1-methoxy-4-methyl-2-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;2-methoxy-3-propan-2-ylpyridine;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylindole;propan-2-ylcyclopropane;1-(3-propan-2-ylphenyl)ethanone;1-propan-2-yl-2-propan-2-yloxybenzene;1-propan-2-yl-3-(trifluoromethyl)benzene is sourced from PubChem (CID 159205942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).