1-[2-(1-methoxyethoxy)ethoxy]-2-phenylmethoxybenzene

C18H22O4 — CID 20729029

IUPAC1-[2-(1-methoxyethoxy)ethoxy]-2-phenylmethoxybenzene
SMILESCOC(C)OCCOc1ccccc1OCc1ccccc1
InChIInChI=1S/C18H22O4/c1-15(19-2)20-12-13-21-17-10-6-7-11-18(17)22-14-16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3
InChIKeyDFZWMMNOPCJFNA-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.65
Rot. Bonds9

About 1-[2-(1-methoxyethoxy)ethoxy]-2-phenylmethoxybenzene

1-[2-(1-methoxyethoxy)ethoxy]-2-phenylmethoxybenzene (PubChem CID 20729029) has the molecular formula C18H22O4 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-[2-(1-methoxyethoxy)ethoxy]-2-phenylmethoxybenzene.

Molecular Properties

Compound Name1-[2-(1-methoxyethoxy)ethoxy]-2-phenylmethoxybenzene
PubChem CID20729029
Molecular FormulaC18H22O4
Molecular Weight302.37 g/mol
Exact Mass302.15
IUPAC Name1-[2-(1-methoxyethoxy)ethoxy]-2-phenylmethoxybenzene
SMILESCOC(C)OCCOc1ccccc1OCc1ccccc1
InChIInChI=1S/C18H22O4/c1-15(19-2)20-12-13-21-17-10-6-7-11-18(17)22-14-16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3
InChIKeyDFZWMMNOPCJFNA-UHFFFAOYSA-N
XLogP3.65
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(1-methoxyethoxy)-2-phenylmethoxybenzene
CID 22756308
1-(1-bromoethoxy)-2-phenylmethoxybenzene
CID 89045446
1-phenylmethoxy-4-(2-propan-2-yloxyethoxy)benzene
CID 58914302
tert-butyl 2-[2-(1-methoxyethoxy)ethoxy]benzoate
CID 59950369
2-(1-methoxyethoxy)ethylselanylmethylbenzene
CID 20729103
1-(5-bromopentoxy)-2-phenylmethoxybenzene
CID 70388303
4-(2-phenylmethoxyphenoxy)butan-1-amine;hydrochloride
CID 164512461
(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol
CID 63364701
1-propoxyethoxymethylbenzene
CID 141304441
1-ethyl-4-[3-(2-phenylmethoxyphenoxy)propyl]piperazine
CID 2961785
(1S)-1-(2-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 71758033
methyl-[(2R)-2-methyl-3-(2-phenylmethoxyphenoxy)propyl]azanium
CID 6947943

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methoxyethoxy)ethoxy]-2-phenylmethoxybenzene?
The IUPAC name of 1-[2-(1-methoxyethoxy)ethoxy]-2-phenylmethoxybenzene (CID 20729029) is 1-[2-(1-methoxyethoxy)ethoxy]-2-phenylmethoxybenzene.
What is the SMILES notation for 1-[2-(1-methoxyethoxy)ethoxy]-2-phenylmethoxybenzene?
The canonical SMILES for 1-[2-(1-methoxyethoxy)ethoxy]-2-phenylmethoxybenzene is COC(C)OCCOc1ccccc1OCc1ccccc1.
What is the InChIKey of 1-[2-(1-methoxyethoxy)ethoxy]-2-phenylmethoxybenzene?
The InChIKey is DFZWMMNOPCJFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O4/c1-15(19-2)20-12-13-21-17-10-6-7-11-18(17)22-14-16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3.
What are the key properties of 1-[2-(1-methoxyethoxy)ethoxy]-2-phenylmethoxybenzene?
1-[2-(1-methoxyethoxy)ethoxy]-2-phenylmethoxybenzene has a molecular weight of 302.37 g/mol, XLogP of 3.65, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methoxyethoxy)ethoxy]-2-phenylmethoxybenzene is sourced from PubChem (CID 20729029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).