methane;1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;1-propan-2-yl-3-propan-2-yloxybenzene

C27H46O2 — CID 159288749

IUPACmethane;1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;1-propan-2-yl-3-propan-2-yloxybenzene
SMILESC.C.CC(C)Oc1cccc(C(C)C)c1.CC(C)c1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C13H20O.C12H18O.2CH4/c1-10(2)11-6-8-12(9-7-11)14-13(3,4)5;1-9(2)11-6-5-7-12(8-11)13-10(3)4;;/h6-10H,1-5H3;5-10H,1-4H3;2*1H4
InChIKeyKZVNTAXRFJGBBP-UHFFFAOYSA-N
MW402.66 g/mol
LogP8.86
Rot. Bonds5

About methane;1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;1-propan-2-yl-3-propan-2-yloxybenzene

methane;1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;1-propan-2-yl-3-propan-2-yloxybenzene (PubChem CID 159288749) has the molecular formula C27H46O2 and a molecular weight of 402.66 g/mol. Its IUPAC name is methane;1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;1-propan-2-yl-3-propan-2-yloxybenzene.

Molecular Properties

Compound Namemethane;1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;1-propan-2-yl-3-propan-2-yloxybenzene
PubChem CID159288749
Molecular FormulaC27H46O2
Molecular Weight402.66 g/mol
Exact Mass402.35
IUPAC Namemethane;1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;1-propan-2-yl-3-propan-2-yloxybenzene
SMILESC.C.CC(C)Oc1cccc(C(C)C)c1.CC(C)c1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C13H20O.C12H18O.2CH4/c1-10(2)11-6-8-12(9-7-11)14-13(3,4)5;1-9(2)11-6-5-7-12(8-11)13-10(3)4;;/h6-10H,1-5H3;5-10H,1-4H3;2*1H4
InChIKeyKZVNTAXRFJGBBP-UHFFFAOYSA-N
XLogP8.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.66
LogP ≤ 58.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]-(4-propan-2-ylphenyl)methanone
CID 145003434
(1S)-1-(3-propan-2-yloxyphenyl)ethanol
CID 75358098
3-methyl-1-(3-propan-2-yloxyphenyl)butane-1,2-diol
CID 103456619
2,2-difluoro-3-hydroxy-3-(3-propan-2-yloxyphenyl)propanoic acid
CID 62397851
N-methyl-1-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine
CID 79168540
(4-chlorophenyl)-(3-propan-2-yloxyphenyl)methanamine
CID 62920659
(4-aminophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 106695525
1-[bromo-(4-chlorophenyl)methyl]-3-propan-2-yloxybenzene
CID 63436948
1,3-bis(3-propan-2-ylphenoxy)benzene
CID 90260311
1-propan-2-yl-4-(4-propan-2-yloxyphenoxy)benzene
CID 126761972
butane;ethane;methane;1-[(2-methylpropan-2-yl)oxy]-4-(1-phenylethyl)benzene
CID 162233950
2-methyl-N-[2-(3-propan-2-ylphenoxy)propyl]butan-2-amine
CID 55195324

Frequently Asked Questions

What is the IUPAC name of methane;1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;1-propan-2-yl-3-propan-2-yloxybenzene?
The IUPAC name of methane;1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;1-propan-2-yl-3-propan-2-yloxybenzene (CID 159288749) is methane;1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;1-propan-2-yl-3-propan-2-yloxybenzene.
What is the SMILES notation for methane;1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;1-propan-2-yl-3-propan-2-yloxybenzene?
The canonical SMILES for methane;1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;1-propan-2-yl-3-propan-2-yloxybenzene is C.C.CC(C)Oc1cccc(C(C)C)c1.CC(C)c1ccc(OC(C)(C)C)cc1.
What is the InChIKey of methane;1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;1-propan-2-yl-3-propan-2-yloxybenzene?
The InChIKey is KZVNTAXRFJGBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O.C12H18O.2CH4/c1-10(2)11-6-8-12(9-7-11)14-13(3,4)5;1-9(2)11-6-5-7-12(8-11)13-10(3)4;;/h6-10H,1-5H3;5-10H,1-4H3;2*1H4.
What are the key properties of methane;1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;1-propan-2-yl-3-propan-2-yloxybenzene?
methane;1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;1-propan-2-yl-3-propan-2-yloxybenzene has a molecular weight of 402.66 g/mol, XLogP of 8.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;1-propan-2-yl-3-propan-2-yloxybenzene is sourced from PubChem (CID 159288749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).