1-[(5-tert-butyl-2-methoxyphenoxy)methyl]-2-methoxy-4-propan-2-ylbenzene

C22H30O3 — CID 134203256

IUPAC1-[(5-tert-butyl-2-methoxyphenoxy)methyl]-2-methoxy-4-propan-2-ylbenzene
SMILESCOc1cc(C(C)C)ccc1COc1cc(C(C)(C)C)ccc1OC
InChIInChI=1S/C22H30O3/c1-15(2)16-8-9-17(20(12-16)24-7)14-25-21-13-18(22(3,4)5)10-11-19(21)23-6/h8-13,15H,14H2,1-7H3
InChIKeyVGWYDVKPPZNPTG-UHFFFAOYSA-N
MW342.48 g/mol
LogP5.70
Rot. Bonds6

About 1-[(5-tert-butyl-2-methoxyphenoxy)methyl]-2-methoxy-4-propan-2-ylbenzene

1-[(5-tert-butyl-2-methoxyphenoxy)methyl]-2-methoxy-4-propan-2-ylbenzene (PubChem CID 134203256) has the molecular formula C22H30O3 and a molecular weight of 342.48 g/mol. Its IUPAC name is 1-[(5-tert-butyl-2-methoxyphenoxy)methyl]-2-methoxy-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-[(5-tert-butyl-2-methoxyphenoxy)methyl]-2-methoxy-4-propan-2-ylbenzene
PubChem CID134203256
Molecular FormulaC22H30O3
Molecular Weight342.48 g/mol
Exact Mass342.22
IUPAC Name1-[(5-tert-butyl-2-methoxyphenoxy)methyl]-2-methoxy-4-propan-2-ylbenzene
SMILESCOc1cc(C(C)C)ccc1COc1cc(C(C)(C)C)ccc1OC
InChIInChI=1S/C22H30O3/c1-15(2)16-8-9-17(20(12-16)24-7)14-25-21-13-18(22(3,4)5)10-11-19(21)23-6/h8-13,15H,14H2,1-7H3
InChIKeyVGWYDVKPPZNPTG-UHFFFAOYSA-N
XLogP5.70
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.48
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-1-methoxy-4-propan-2-ylbenzene
CID 22087689
1-(2,2-difluoropropoxymethyl)-2-methoxy-4-propan-2-ylbenzene
CID 118188287
ethane;1-ethyl-2-methoxy-4-propan-2-ylbenzene
CID 166091157
2-(2-methoxy-4-propan-2-ylphenyl)acetamide
CID 82492357
2-(5-tert-butyl-2-methoxyphenoxy)ethanamine
CID 96672636
1-amino-3-(2-methoxy-4-propan-2-ylphenyl)propan-2-ol
CID 116859156
4-(chloromethyl)-1-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene
CID 28973814
1-[(4-fluorophenyl)methoxy]-2-methoxy-4-propan-2-ylbenzene
CID 130325597
4-(bromomethyl)-1-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene
CID 43324734
[4-methoxy-3-[(4-propan-2-ylphenyl)methoxy]phenyl]methanamine
CID 28973773
4-[(2-methoxy-5-propan-2-ylphenyl)methoxy]aniline
CID 82354174
2-[2-(2-methoxy-4-propan-2-ylphenyl)ethylamino]acetonitrile
CID 115131233

Frequently Asked Questions

What is the IUPAC name of 1-[(5-tert-butyl-2-methoxyphenoxy)methyl]-2-methoxy-4-propan-2-ylbenzene?
The IUPAC name of 1-[(5-tert-butyl-2-methoxyphenoxy)methyl]-2-methoxy-4-propan-2-ylbenzene (CID 134203256) is 1-[(5-tert-butyl-2-methoxyphenoxy)methyl]-2-methoxy-4-propan-2-ylbenzene.
What is the SMILES notation for 1-[(5-tert-butyl-2-methoxyphenoxy)methyl]-2-methoxy-4-propan-2-ylbenzene?
The canonical SMILES for 1-[(5-tert-butyl-2-methoxyphenoxy)methyl]-2-methoxy-4-propan-2-ylbenzene is COc1cc(C(C)C)ccc1COc1cc(C(C)(C)C)ccc1OC.
What is the InChIKey of 1-[(5-tert-butyl-2-methoxyphenoxy)methyl]-2-methoxy-4-propan-2-ylbenzene?
The InChIKey is VGWYDVKPPZNPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O3/c1-15(2)16-8-9-17(20(12-16)24-7)14-25-21-13-18(22(3,4)5)10-11-19(21)23-6/h8-13,15H,14H2,1-7H3.
What are the key properties of 1-[(5-tert-butyl-2-methoxyphenoxy)methyl]-2-methoxy-4-propan-2-ylbenzene?
1-[(5-tert-butyl-2-methoxyphenoxy)methyl]-2-methoxy-4-propan-2-ylbenzene has a molecular weight of 342.48 g/mol, XLogP of 5.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-tert-butyl-2-methoxyphenoxy)methyl]-2-methoxy-4-propan-2-ylbenzene is sourced from PubChem (CID 134203256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).