2-[3-(2-methoxyphenoxy)propoxy]-1-methyl-4-propan-2-ylbenzene

C20H26O3 — CID 2285673

IUPAC2-[3-(2-methoxyphenoxy)propoxy]-1-methyl-4-propan-2-ylbenzene
SMILESCOc1ccccc1OCCCOc1cc(C(C)C)ccc1C
InChIInChI=1S/C20H26O3/c1-15(2)17-11-10-16(3)20(14-17)23-13-7-12-22-19-9-6-5-8-18(19)21-4/h5-6,8-11,14-15H,7,12-13H2,1-4H3
InChIKeyYTRGVYWQNJLZDZ-UHFFFAOYSA-N
MW314.42 g/mol
LogP4.97
Rot. Bonds8

About 2-[3-(2-methoxyphenoxy)propoxy]-1-methyl-4-propan-2-ylbenzene

2-[3-(2-methoxyphenoxy)propoxy]-1-methyl-4-propan-2-ylbenzene (PubChem CID 2285673) has the molecular formula C20H26O3 and a molecular weight of 314.42 g/mol. Its IUPAC name is 2-[3-(2-methoxyphenoxy)propoxy]-1-methyl-4-propan-2-ylbenzene.

Molecular Properties

Compound Name2-[3-(2-methoxyphenoxy)propoxy]-1-methyl-4-propan-2-ylbenzene
PubChem CID2285673
Molecular FormulaC20H26O3
Molecular Weight314.42 g/mol
Exact Mass314.19
IUPAC Name2-[3-(2-methoxyphenoxy)propoxy]-1-methyl-4-propan-2-ylbenzene
SMILESCOc1ccccc1OCCCOc1cc(C(C)C)ccc1C
InChIInChI=1S/C20H26O3/c1-15(2)17-11-10-16(3)20(14-17)23-13-7-12-22-19-9-6-5-8-18(19)21-4/h5-6,8-11,14-15H,7,12-13H2,1-4H3
InChIKeyYTRGVYWQNJLZDZ-UHFFFAOYSA-N
XLogP4.97
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.42
LogP ≤ 54.97
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-(2-methoxyphenoxy)ethoxy]-1-methyl-4-propan-2-ylbenzene
CID 2283991
2-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-1-methyl-4-propan-2-ylbenzene
CID 2283913
2-(2-methoxyethoxy)-1-methyl-4-propan-2-ylbenzene
CID 112722468
2-[2-(3-methoxypropoxy)ethoxy]-1-methyl-4-propan-2-ylbenzene
CID 103184405
1-methyl-4-propan-2-yl-2-propoxybenzene
CID 78907679
N-methyl-3-(2-methyl-5-propan-2-ylphenoxy)propan-1-amine
CID 61036143
2-hexoxy-1-methyl-4-propan-2-ylbenzene
CID 81004927
N-methyl-2-(2-methyl-5-propan-2-ylphenoxy)ethanamine
CID 61035897
4-[3-(2-methoxyphenoxy)propoxy]-1,2-dimethylbenzene
CID 2251577
5-(2-methyl-5-propan-2-ylphenoxy)-N-propan-2-ylpentan-1-amine
CID 63497734
1-methoxy-2-[12-(2-methoxyphenoxy)dodecoxy]benzene
CID 134880850
2,2-dimethyl-6-(2-methyl-5-propan-2-ylphenoxy)hexanimidamide
CID 106712401

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyphenoxy)propoxy]-1-methyl-4-propan-2-ylbenzene?
The IUPAC name of 2-[3-(2-methoxyphenoxy)propoxy]-1-methyl-4-propan-2-ylbenzene (CID 2285673) is 2-[3-(2-methoxyphenoxy)propoxy]-1-methyl-4-propan-2-ylbenzene.
What is the SMILES notation for 2-[3-(2-methoxyphenoxy)propoxy]-1-methyl-4-propan-2-ylbenzene?
The canonical SMILES for 2-[3-(2-methoxyphenoxy)propoxy]-1-methyl-4-propan-2-ylbenzene is COc1ccccc1OCCCOc1cc(C(C)C)ccc1C.
What is the InChIKey of 2-[3-(2-methoxyphenoxy)propoxy]-1-methyl-4-propan-2-ylbenzene?
The InChIKey is YTRGVYWQNJLZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O3/c1-15(2)17-11-10-16(3)20(14-17)23-13-7-12-22-19-9-6-5-8-18(19)21-4/h5-6,8-11,14-15H,7,12-13H2,1-4H3.
What are the key properties of 2-[3-(2-methoxyphenoxy)propoxy]-1-methyl-4-propan-2-ylbenzene?
2-[3-(2-methoxyphenoxy)propoxy]-1-methyl-4-propan-2-ylbenzene has a molecular weight of 314.42 g/mol, XLogP of 4.97, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyphenoxy)propoxy]-1-methyl-4-propan-2-ylbenzene is sourced from PubChem (CID 2285673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).