1-[2-(2-methoxyethoxy)ethoxy]-3-(2-methylphenyl)benzene

C18H22O3 — CID 57485291

IUPAC1-[2-(2-methoxyethoxy)ethoxy]-3-(2-methylphenyl)benzene
SMILESCOCCOCCOc1cccc(-c2ccccc2C)c1
InChIInChI=1S/C18H22O3/c1-15-6-3-4-9-18(15)16-7-5-8-17(14-16)21-13-12-20-11-10-19-2/h3-9,14H,10-13H2,1-2H3
InChIKeyOLSWQNYFJXIQLB-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.70
Rot. Bonds8

About 1-[2-(2-methoxyethoxy)ethoxy]-3-(2-methylphenyl)benzene

1-[2-(2-methoxyethoxy)ethoxy]-3-(2-methylphenyl)benzene (PubChem CID 57485291) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)ethoxy]-3-(2-methylphenyl)benzene.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)ethoxy]-3-(2-methylphenyl)benzene
PubChem CID57485291
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name1-[2-(2-methoxyethoxy)ethoxy]-3-(2-methylphenyl)benzene
SMILESCOCCOCCOc1cccc(-c2ccccc2C)c1
InChIInChI=1S/C18H22O3/c1-15-6-3-4-9-18(15)16-7-5-8-17(14-16)21-13-12-20-11-10-19-2/h3-9,14H,10-13H2,1-2H3
InChIKeyOLSWQNYFJXIQLB-UHFFFAOYSA-N
XLogP3.70
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.70
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

1-(4-chlorobutoxy)-3-(2-methylphenyl)benzene
CID 21281277
2-[3-(2-methylphenyl)phenoxy]acetic acid
CID 39346407
2-[2-[3-(2-methoxyethoxy)phenyl]phenyl]acetonitrile
CID 67272914
1-[2-(2-methoxyethoxy)ethoxy]-3-[2-(4-methylphenoxy)ethoxy]benzene
CID 134579491
ethane;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxybenzene
CID 154643071
2-[2-(2-methoxyethoxy)ethoxy]-1,3-dimethylbenzene
CID 83057558
1-bromo-3-[2-(2-methoxyethoxy)ethoxy]benzene;ethane
CID 144931224
1-chloro-4-[3-(2-methoxyethoxy)phenyl]benzene
CID 91316664
2-[3-(2-methylphenyl)phenoxy]propanoic acid
CID 82044805
4-[3-[3-[2-(2-methoxyethoxy)ethoxy]phenyl]phenyl]butan-1-ol
CID 173357798
1-methoxy-3-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]benzene
CID 2263044
1-bromo-3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]benzene
CID 103404159

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethoxy)ethoxy]-3-(2-methylphenyl)benzene?
The IUPAC name of 1-[2-(2-methoxyethoxy)ethoxy]-3-(2-methylphenyl)benzene (CID 57485291) is 1-[2-(2-methoxyethoxy)ethoxy]-3-(2-methylphenyl)benzene.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)ethoxy]-3-(2-methylphenyl)benzene?
The canonical SMILES for 1-[2-(2-methoxyethoxy)ethoxy]-3-(2-methylphenyl)benzene is COCCOCCOc1cccc(-c2ccccc2C)c1.
What is the InChIKey of 1-[2-(2-methoxyethoxy)ethoxy]-3-(2-methylphenyl)benzene?
The InChIKey is OLSWQNYFJXIQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3/c1-15-6-3-4-9-18(15)16-7-5-8-17(14-16)21-13-12-20-11-10-19-2/h3-9,14H,10-13H2,1-2H3.
What are the key properties of 1-[2-(2-methoxyethoxy)ethoxy]-3-(2-methylphenyl)benzene?
1-[2-(2-methoxyethoxy)ethoxy]-3-(2-methylphenyl)benzene has a molecular weight of 286.37 g/mol, XLogP of 3.70, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxy)ethoxy]-3-(2-methylphenyl)benzene is sourced from PubChem (CID 57485291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).