1-(2-methoxyethoxy)-4-(4-propoxybutyl)naphthalene

C20H28O3 — CID 123532890

IUPAC1-(2-methoxyethoxy)-4-(4-propoxybutyl)naphthalene
SMILESCCCOCCCCc1ccc(OCCOC)c2ccccc12
InChIInChI=1S/C20H28O3/c1-3-13-22-14-7-6-8-17-11-12-20(23-16-15-21-2)19-10-5-4-9-18(17)19/h4-5,9-12H,3,6-8,13-16H2,1-2H3
InChIKeyLTXFFGDTDABYPL-UHFFFAOYSA-N
MW316.44 g/mol
LogP4.61
Rot. Bonds11

About 1-(2-methoxyethoxy)-4-(4-propoxybutyl)naphthalene

1-(2-methoxyethoxy)-4-(4-propoxybutyl)naphthalene (PubChem CID 123532890) has the molecular formula C20H28O3 and a molecular weight of 316.44 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-4-(4-propoxybutyl)naphthalene.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-4-(4-propoxybutyl)naphthalene
PubChem CID123532890
Molecular FormulaC20H28O3
Molecular Weight316.44 g/mol
Exact Mass316.20
IUPAC Name1-(2-methoxyethoxy)-4-(4-propoxybutyl)naphthalene
SMILESCCCOCCCCc1ccc(OCCOC)c2ccccc12
InChIInChI=1S/C20H28O3/c1-3-13-22-14-7-6-8-17-11-12-20(23-16-15-21-2)19-10-5-4-9-18(17)19/h4-5,9-12H,3,6-8,13-16H2,1-2H3
InChIKeyLTXFFGDTDABYPL-UHFFFAOYSA-N
XLogP4.61
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 54.61
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

4-[2-(3-methoxypropoxy)ethoxy]naphthalen-1-amine
CID 103177326
1,4-didodecoxynaphthalene
CID 21304164
1,4-dibutoxynaphthalene
CID 22016411
1-(bromomethyl)-4-dodecoxynaphthalene
CID 57081805
1-(2-methoxyethoxy)-4-methylnaphthalene
CID 90431362
1-propoxy-2-[3-[3-(2-propoxyphenyl)propoxy]propyl]benzene
CID 141096936
3-(4-ethoxynaphthalen-1-yl)propan-1-amine
CID 82263179
1-[2-(3-methoxypropoxy)ethoxy]naphthalene
CID 103184395
4-(4-ethoxynaphthalen-1-yl)butanoic acid
CID 82263167
1-(4-methoxybutyl)naphthalene
CID 69278949
2-[2-[5-(2-methoxyethoxy)naphthalen-1-yl]oxyethoxy]ethanol
CID 58864087
1-ethyl-4-(3-fluoropropoxy)naphthalene
CID 172595334

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)-4-(4-propoxybutyl)naphthalene?
The IUPAC name of 1-(2-methoxyethoxy)-4-(4-propoxybutyl)naphthalene (CID 123532890) is 1-(2-methoxyethoxy)-4-(4-propoxybutyl)naphthalene.
What is the SMILES notation for 1-(2-methoxyethoxy)-4-(4-propoxybutyl)naphthalene?
The canonical SMILES for 1-(2-methoxyethoxy)-4-(4-propoxybutyl)naphthalene is CCCOCCCCc1ccc(OCCOC)c2ccccc12.
What is the InChIKey of 1-(2-methoxyethoxy)-4-(4-propoxybutyl)naphthalene?
The InChIKey is LTXFFGDTDABYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O3/c1-3-13-22-14-7-6-8-17-11-12-20(23-16-15-21-2)19-10-5-4-9-18(17)19/h4-5,9-12H,3,6-8,13-16H2,1-2H3.
What are the key properties of 1-(2-methoxyethoxy)-4-(4-propoxybutyl)naphthalene?
1-(2-methoxyethoxy)-4-(4-propoxybutyl)naphthalene has a molecular weight of 316.44 g/mol, XLogP of 4.61, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)-4-(4-propoxybutyl)naphthalene is sourced from PubChem (CID 123532890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).