4-[2-(2-ethyl-2-methylbutoxy)propan-2-yl]-1,2-dimethoxybenzene

C18H30O3 — CID 142285797

IUPAC4-[2-(2-ethyl-2-methylbutoxy)propan-2-yl]-1,2-dimethoxybenzene
SMILESCCC(C)(CC)COC(C)(C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C18H30O3/c1-8-18(5,9-2)13-21-17(3,4)14-10-11-15(19-6)16(12-14)20-7/h10-12H,8-9,13H2,1-7H3
InChIKeyYQOYGGWVUOSFJM-UHFFFAOYSA-N
MW294.44 g/mol
LogP4.78
Rot. Bonds8

About 4-[2-(2-ethyl-2-methylbutoxy)propan-2-yl]-1,2-dimethoxybenzene

4-[2-(2-ethyl-2-methylbutoxy)propan-2-yl]-1,2-dimethoxybenzene (PubChem CID 142285797) has the molecular formula C18H30O3 and a molecular weight of 294.44 g/mol. Its IUPAC name is 4-[2-(2-ethyl-2-methylbutoxy)propan-2-yl]-1,2-dimethoxybenzene.

Molecular Properties

Compound Name4-[2-(2-ethyl-2-methylbutoxy)propan-2-yl]-1,2-dimethoxybenzene
PubChem CID142285797
Molecular FormulaC18H30O3
Molecular Weight294.44 g/mol
Exact Mass294.22
IUPAC Name4-[2-(2-ethyl-2-methylbutoxy)propan-2-yl]-1,2-dimethoxybenzene
SMILESCCC(C)(CC)COC(C)(C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C18H30O3/c1-8-18(5,9-2)13-21-17(3,4)14-10-11-15(19-6)16(12-14)20-7/h10-12H,8-9,13H2,1-7H3
InChIKeyYQOYGGWVUOSFJM-UHFFFAOYSA-N
XLogP4.78
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethoxyphenyl)-3,3-dimethylbutan-2-ol
CID 113302772
2-(3,4-dimethoxyphenyl)-2-fluoro-N-methylpropan-1-amine
CID 105424304
2-(3,4-dimethoxyphenyl)-1,1,1-trifluoro-N-propylpropan-2-amine
CID 66205999
(2R)-2-(4-methoxy-3-methylphenyl)butan-2-ol
CID 97294196
N-[2-(3,4-dimethoxyphenyl)propan-2-yl]butanamide
CID 113091518
3-(3,4-dimethoxyphenyl)-3-(methylamino)butan-1-ol
CID 65234980
2-amino-2-(3,4-dimethoxyphenyl)butanoic acid
CID 3996118
3,4-dimethoxy-N-(2-methylbutan-2-yl)benzamide
CID 3297993
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclopropanamine
CID 62595328
2-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 62595876
1-methoxy-4-(2-methoxypropan-2-yl)-2-methylbenzene
CID 20723728
N-[2-(3,4-dimethoxyphenyl)propan-2-yl]methanesulfonamide
CID 110441258

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-ethyl-2-methylbutoxy)propan-2-yl]-1,2-dimethoxybenzene?
The IUPAC name of 4-[2-(2-ethyl-2-methylbutoxy)propan-2-yl]-1,2-dimethoxybenzene (CID 142285797) is 4-[2-(2-ethyl-2-methylbutoxy)propan-2-yl]-1,2-dimethoxybenzene.
What is the SMILES notation for 4-[2-(2-ethyl-2-methylbutoxy)propan-2-yl]-1,2-dimethoxybenzene?
The canonical SMILES for 4-[2-(2-ethyl-2-methylbutoxy)propan-2-yl]-1,2-dimethoxybenzene is CCC(C)(CC)COC(C)(C)c1ccc(OC)c(OC)c1.
What is the InChIKey of 4-[2-(2-ethyl-2-methylbutoxy)propan-2-yl]-1,2-dimethoxybenzene?
The InChIKey is YQOYGGWVUOSFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O3/c1-8-18(5,9-2)13-21-17(3,4)14-10-11-15(19-6)16(12-14)20-7/h10-12H,8-9,13H2,1-7H3.
What are the key properties of 4-[2-(2-ethyl-2-methylbutoxy)propan-2-yl]-1,2-dimethoxybenzene?
4-[2-(2-ethyl-2-methylbutoxy)propan-2-yl]-1,2-dimethoxybenzene has a molecular weight of 294.44 g/mol, XLogP of 4.78, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-ethyl-2-methylbutoxy)propan-2-yl]-1,2-dimethoxybenzene is sourced from PubChem (CID 142285797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).