2-[2-[5-(2-methoxyethoxy)naphthalen-1-yl]oxyethoxy]ethanol

C17H22O5 — CID 58864087

IUPAC2-[2-[5-(2-methoxyethoxy)naphthalen-1-yl]oxyethoxy]ethanol
SMILESCOCCOc1cccc2c(OCCOCCO)cccc12
InChIInChI=1S/C17H22O5/c1-19-10-12-21-16-6-2-5-15-14(16)4-3-7-17(15)22-13-11-20-9-8-18/h2-7,18H,8-13H2,1H3
InChIKeyVHIUQVALISQSLJ-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.25
Rot. Bonds10

About 2-[2-[5-(2-methoxyethoxy)naphthalen-1-yl]oxyethoxy]ethanol

2-[2-[5-(2-methoxyethoxy)naphthalen-1-yl]oxyethoxy]ethanol (PubChem CID 58864087) has the molecular formula C17H22O5 and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-[2-[5-(2-methoxyethoxy)naphthalen-1-yl]oxyethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[5-(2-methoxyethoxy)naphthalen-1-yl]oxyethoxy]ethanol
PubChem CID58864087
Molecular FormulaC17H22O5
Molecular Weight306.36 g/mol
Exact Mass306.15
IUPAC Name2-[2-[5-(2-methoxyethoxy)naphthalen-1-yl]oxyethoxy]ethanol
SMILESCOCCOc1cccc2c(OCCOCCO)cccc12
InChIInChI=1S/C17H22O5/c1-19-10-12-21-16-6-2-5-15-14(16)4-3-7-17(15)22-13-11-20-9-8-18/h2-7,18H,8-13H2,1H3
InChIKeyVHIUQVALISQSLJ-UHFFFAOYSA-N
XLogP2.25
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[5-(2-ethoxyethoxy)naphthalen-1-yl]oxyethoxy]ethanol
CID 144738763
2-[2-[2-(2-methoxyphenoxy)ethoxy]ethoxy]ethanol
CID 15049023
ethane;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;naphthalene
CID 123844641
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4,5-dimethylphenoxy]ethoxy]ethoxy]ethanol
CID 59950660
1-[2-(3-methoxypropoxy)ethoxy]naphthalene
CID 103184395
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylphenol
CID 104564323
2-[2-[4,5,8-tris[2-(2-hydroxyethoxy)ethoxy]anthracen-1-yl]oxyethoxy]ethanol
CID 89126006
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]benzene
CID 102202030
[4-(hydroxymethyl)-2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanol
CID 86247130
[3-(2-methoxyethoxy)-2-methylphenyl]methanol
CID 67112208
2-[1-[2-(2-methoxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyethanol
CID 144623852
2-methoxyethanol;2-(2-methoxyethoxy)ethanol
CID 87975598

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-(2-methoxyethoxy)naphthalen-1-yl]oxyethoxy]ethanol?
The IUPAC name of 2-[2-[5-(2-methoxyethoxy)naphthalen-1-yl]oxyethoxy]ethanol (CID 58864087) is 2-[2-[5-(2-methoxyethoxy)naphthalen-1-yl]oxyethoxy]ethanol.
What is the SMILES notation for 2-[2-[5-(2-methoxyethoxy)naphthalen-1-yl]oxyethoxy]ethanol?
The canonical SMILES for 2-[2-[5-(2-methoxyethoxy)naphthalen-1-yl]oxyethoxy]ethanol is COCCOc1cccc2c(OCCOCCO)cccc12.
What is the InChIKey of 2-[2-[5-(2-methoxyethoxy)naphthalen-1-yl]oxyethoxy]ethanol?
The InChIKey is VHIUQVALISQSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O5/c1-19-10-12-21-16-6-2-5-15-14(16)4-3-7-17(15)22-13-11-20-9-8-18/h2-7,18H,8-13H2,1H3.
What are the key properties of 2-[2-[5-(2-methoxyethoxy)naphthalen-1-yl]oxyethoxy]ethanol?
2-[2-[5-(2-methoxyethoxy)naphthalen-1-yl]oxyethoxy]ethanol has a molecular weight of 306.36 g/mol, XLogP of 2.25, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-(2-methoxyethoxy)naphthalen-1-yl]oxyethoxy]ethanol is sourced from PubChem (CID 58864087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).