2-[2-(3-methoxypropoxy)ethoxy]-1-methyl-4-propan-2-ylbenzene

C16H26O3 — CID 103184405

IUPAC2-[2-(3-methoxypropoxy)ethoxy]-1-methyl-4-propan-2-ylbenzene
SMILESCOCCCOCCOc1cc(C(C)C)ccc1C
InChIInChI=1S/C16H26O3/c1-13(2)15-7-6-14(3)16(12-15)19-11-10-18-9-5-8-17-4/h6-7,12-13H,5,8-11H2,1-4H3
InChIKeyWOJKLVUMRQYDBO-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.55
Rot. Bonds9

About 2-[2-(3-methoxypropoxy)ethoxy]-1-methyl-4-propan-2-ylbenzene

2-[2-(3-methoxypropoxy)ethoxy]-1-methyl-4-propan-2-ylbenzene (PubChem CID 103184405) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-[2-(3-methoxypropoxy)ethoxy]-1-methyl-4-propan-2-ylbenzene.

Molecular Properties

Compound Name2-[2-(3-methoxypropoxy)ethoxy]-1-methyl-4-propan-2-ylbenzene
PubChem CID103184405
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name2-[2-(3-methoxypropoxy)ethoxy]-1-methyl-4-propan-2-ylbenzene
SMILESCOCCCOCCOc1cc(C(C)C)ccc1C
InChIInChI=1S/C16H26O3/c1-13(2)15-7-6-14(3)16(12-15)19-11-10-18-9-5-8-17-4/h6-7,12-13H,5,8-11H2,1-4H3
InChIKeyWOJKLVUMRQYDBO-UHFFFAOYSA-N
XLogP3.55
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyethoxy)-1-methyl-4-propan-2-ylbenzene
CID 112722468
N'-[2-[2-(2-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]ethane-1,2-diamine
CID 2276634
2-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-1-methyl-4-propan-2-ylbenzene
CID 2283913
N-[2-[2-(2-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]butan-1-amine
CID 2276631
2-[3-(2-methoxyphenoxy)propoxy]-1-methyl-4-propan-2-ylbenzene
CID 2285673
1-methyl-4-propan-2-yl-2-propoxybenzene
CID 78907679
2-[2-(2-methoxyphenoxy)ethoxy]-1-methyl-4-propan-2-ylbenzene
CID 2283991
3-[2-(3-methoxypropoxy)ethoxy]-4-methylbenzoic acid
CID 103177358
N-methyl-3-(2-methyl-5-propan-2-ylphenoxy)propan-1-amine
CID 61036143
2-hexoxy-1-methyl-4-propan-2-ylbenzene
CID 81004927
4-methyl-1-[2-[2-(2-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]piperidin-1-ium
CID 2269853
N-methyl-2-(2-methyl-5-propan-2-ylphenoxy)ethanamine
CID 61035897

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxypropoxy)ethoxy]-1-methyl-4-propan-2-ylbenzene?
The IUPAC name of 2-[2-(3-methoxypropoxy)ethoxy]-1-methyl-4-propan-2-ylbenzene (CID 103184405) is 2-[2-(3-methoxypropoxy)ethoxy]-1-methyl-4-propan-2-ylbenzene.
What is the SMILES notation for 2-[2-(3-methoxypropoxy)ethoxy]-1-methyl-4-propan-2-ylbenzene?
The canonical SMILES for 2-[2-(3-methoxypropoxy)ethoxy]-1-methyl-4-propan-2-ylbenzene is COCCCOCCOc1cc(C(C)C)ccc1C.
What is the InChIKey of 2-[2-(3-methoxypropoxy)ethoxy]-1-methyl-4-propan-2-ylbenzene?
The InChIKey is WOJKLVUMRQYDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-13(2)15-7-6-14(3)16(12-15)19-11-10-18-9-5-8-17-4/h6-7,12-13H,5,8-11H2,1-4H3.
What are the key properties of 2-[2-(3-methoxypropoxy)ethoxy]-1-methyl-4-propan-2-ylbenzene?
2-[2-(3-methoxypropoxy)ethoxy]-1-methyl-4-propan-2-ylbenzene has a molecular weight of 266.38 g/mol, XLogP of 3.55, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxypropoxy)ethoxy]-1-methyl-4-propan-2-ylbenzene is sourced from PubChem (CID 103184405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).