methane;2-methoxy-1-methyl-4-propan-2-yloxybenzene;1-methyl-4-propan-2-yloxybenzene

C22H34O3 — CID 159264370

IUPACmethane;2-methoxy-1-methyl-4-propan-2-yloxybenzene;1-methyl-4-propan-2-yloxybenzene
SMILESC.COc1cc(OC(C)C)ccc1C.Cc1ccc(OC(C)C)cc1
InChIInChI=1S/C11H16O2.C10H14O.CH4/c1-8(2)13-10-6-5-9(3)11(7-10)12-4;1-8(2)11-10-6-4-9(3)5-7-10;/h5-8H,1-4H3;4-8H,1-3H3;1H4
InChIKeyKWXKHXRAQYRYEA-UHFFFAOYSA-N
MW346.51 g/mol
LogP6.21
Rot. Bonds5

About methane;2-methoxy-1-methyl-4-propan-2-yloxybenzene;1-methyl-4-propan-2-yloxybenzene

methane;2-methoxy-1-methyl-4-propan-2-yloxybenzene;1-methyl-4-propan-2-yloxybenzene (PubChem CID 159264370) has the molecular formula C22H34O3 and a molecular weight of 346.51 g/mol. Its IUPAC name is methane;2-methoxy-1-methyl-4-propan-2-yloxybenzene;1-methyl-4-propan-2-yloxybenzene.

Molecular Properties

Compound Namemethane;2-methoxy-1-methyl-4-propan-2-yloxybenzene;1-methyl-4-propan-2-yloxybenzene
PubChem CID159264370
Molecular FormulaC22H34O3
Molecular Weight346.51 g/mol
Exact Mass346.25
IUPAC Namemethane;2-methoxy-1-methyl-4-propan-2-yloxybenzene;1-methyl-4-propan-2-yloxybenzene
SMILESC.COc1cc(OC(C)C)ccc1C.Cc1ccc(OC(C)C)cc1
InChIInChI=1S/C11H16O2.C10H14O.CH4/c1-8(2)13-10-6-5-9(3)11(7-10)12-4;1-8(2)11-10-6-4-9(3)5-7-10;/h5-8H,1-4H3;4-8H,1-3H3;1H4
InChIKeyKWXKHXRAQYRYEA-UHFFFAOYSA-N
XLogP6.21
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.51
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-4-[(2R)-1-methoxypropan-2-yl]oxy-1-methylbenzene
CID 70331911
1-iodo-2-methoxy-4-propan-2-yloxybenzene
CID 131308611
CID 88575410
CID 88575410
(2-methoxy-4-methylphenyl)-(4-propan-2-yloxyphenyl)methanol
CID 106790887
2-methoxy-5-propan-2-yloxyaniline
CID 10081024
(3,4-dimethylphenyl)-(4-propan-2-yloxyphenyl)methanol
CID 61086884
N-(2,5-dimethylphenyl)-4-methoxy-2-propan-2-yloxybenzamide
CID 119046619
(2R)-2-(2,5-dimethylphenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
CID 40771491
2,5-dimethoxy-N-(4-propan-2-yloxyphenyl)benzamide
CID 110761096
(3-methoxy-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 115794697
1,2-dimethoxy-4-(5-methoxy-2-methylphenoxy)benzene
CID 123959246
2-tert-butyl-1-methoxy-4-propan-2-yloxybenzene
CID 13056323

Frequently Asked Questions

What is the IUPAC name of methane;2-methoxy-1-methyl-4-propan-2-yloxybenzene;1-methyl-4-propan-2-yloxybenzene?
The IUPAC name of methane;2-methoxy-1-methyl-4-propan-2-yloxybenzene;1-methyl-4-propan-2-yloxybenzene (CID 159264370) is methane;2-methoxy-1-methyl-4-propan-2-yloxybenzene;1-methyl-4-propan-2-yloxybenzene.
What is the SMILES notation for methane;2-methoxy-1-methyl-4-propan-2-yloxybenzene;1-methyl-4-propan-2-yloxybenzene?
The canonical SMILES for methane;2-methoxy-1-methyl-4-propan-2-yloxybenzene;1-methyl-4-propan-2-yloxybenzene is C.COc1cc(OC(C)C)ccc1C.Cc1ccc(OC(C)C)cc1.
What is the InChIKey of methane;2-methoxy-1-methyl-4-propan-2-yloxybenzene;1-methyl-4-propan-2-yloxybenzene?
The InChIKey is KWXKHXRAQYRYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2.C10H14O.CH4/c1-8(2)13-10-6-5-9(3)11(7-10)12-4;1-8(2)11-10-6-4-9(3)5-7-10;/h5-8H,1-4H3;4-8H,1-3H3;1H4.
What are the key properties of methane;2-methoxy-1-methyl-4-propan-2-yloxybenzene;1-methyl-4-propan-2-yloxybenzene?
methane;2-methoxy-1-methyl-4-propan-2-yloxybenzene;1-methyl-4-propan-2-yloxybenzene has a molecular weight of 346.51 g/mol, XLogP of 6.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methoxy-1-methyl-4-propan-2-yloxybenzene;1-methyl-4-propan-2-yloxybenzene is sourced from PubChem (CID 159264370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).