1-methoxy-3-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]benzene

C18H22O5 — CID 2263044

IUPAC1-methoxy-3-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]benzene
SMILESCOc1cccc(OCCOCCOc2cccc(OC)c2)c1
InChIInChI=1S/C18H22O5/c1-19-15-5-3-7-17(13-15)22-11-9-21-10-12-23-18-8-4-6-16(14-18)20-2/h3-8,13-14H,9-12H2,1-2H3
InChIKeySISPGHYVVYDODM-UHFFFAOYSA-N
MW318.37 g/mol
LogP3.18
Rot. Bonds10

About 1-methoxy-3-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]benzene

1-methoxy-3-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]benzene (PubChem CID 2263044) has the molecular formula C18H22O5 and a molecular weight of 318.37 g/mol. Its IUPAC name is 1-methoxy-3-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]benzene.

Molecular Properties

Compound Name1-methoxy-3-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]benzene
PubChem CID2263044
Molecular FormulaC18H22O5
Molecular Weight318.37 g/mol
Exact Mass318.15
IUPAC Name1-methoxy-3-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]benzene
SMILESCOc1cccc(OCCOCCOc2cccc(OC)c2)c1
InChIInChI=1S/C18H22O5/c1-19-15-5-3-7-17(13-15)22-11-9-21-10-12-23-18-8-4-6-16(14-18)20-2/h3-8,13-14H,9-12H2,1-2H3
InChIKeySISPGHYVVYDODM-UHFFFAOYSA-N
XLogP3.18
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis[2-(2-ethoxyethoxy)ethoxy]benzene
CID 118036057
1-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene
CID 141365306
1-chloro-4-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]naphthalene
CID 2898841
2-(3-methoxyphenoxy)-N,N-dimethylethanamine
CID 10081369
1-methoxy-3-(2-methylsulfanylethoxy)benzene
CID 103601143
2-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]-4-methyl-1-propan-2-ylbenzene
CID 2283471
1-[2-(2-methoxyethoxy)ethoxy]-3-[2-(4-methylphenoxy)ethoxy]benzene
CID 134579491
1-[4-(3-methoxyphenoxy)butoxy]-3,5-dimethylbenzene
CID 2251913
1,3-bis[2-[2-(4-ethylphenoxy)ethoxy]ethoxy]benzene
CID 102046454
1,3-bis(2-hexoxyethoxy)benzene
CID 118037379
(3-methoxyphenoxy)methanol
CID 10442564
1-(chloromethoxy)-3-methoxybenzene
CID 59086252

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]benzene?
The IUPAC name of 1-methoxy-3-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]benzene (CID 2263044) is 1-methoxy-3-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]benzene.
What is the SMILES notation for 1-methoxy-3-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]benzene?
The canonical SMILES for 1-methoxy-3-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]benzene is COc1cccc(OCCOCCOc2cccc(OC)c2)c1.
What is the InChIKey of 1-methoxy-3-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]benzene?
The InChIKey is SISPGHYVVYDODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O5/c1-19-15-5-3-7-17(13-15)22-11-9-21-10-12-23-18-8-4-6-16(14-18)20-2/h3-8,13-14H,9-12H2,1-2H3.
What are the key properties of 1-methoxy-3-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]benzene?
1-methoxy-3-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]benzene has a molecular weight of 318.37 g/mol, XLogP of 3.18, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]benzene is sourced from PubChem (CID 2263044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).