2-(4-methoxybutyl)naphthalene

C15H18O — CID 54126591

IUPAC2-(4-methoxybutyl)naphthalene
SMILESCOCCCCc1ccc2ccccc2c1
InChIInChI=1S/C15H18O/c1-16-11-5-4-6-13-9-10-14-7-2-3-8-15(14)12-13/h2-3,7-10,12H,4-6,11H2,1H3
InChIKeyODHYPKKWRMKGLU-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.81
Rot. Bonds5

About 2-(4-methoxybutyl)naphthalene

2-(4-methoxybutyl)naphthalene (PubChem CID 54126591) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-(4-methoxybutyl)naphthalene.

Molecular Properties

Compound Name2-(4-methoxybutyl)naphthalene
PubChem CID54126591
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name2-(4-methoxybutyl)naphthalene
SMILESCOCCCCc1ccc2ccccc2c1
InChIInChI=1S/C15H18O/c1-16-11-5-4-6-13-9-10-14-7-2-3-8-15(14)12-13/h2-3,7-10,12H,4-6,11H2,1H3
InChIKeyODHYPKKWRMKGLU-UHFFFAOYSA-N
XLogP3.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxybutyl)naphthalene?
The IUPAC name of 2-(4-methoxybutyl)naphthalene (CID 54126591) is 2-(4-methoxybutyl)naphthalene.
What is the SMILES notation for 2-(4-methoxybutyl)naphthalene?
The canonical SMILES for 2-(4-methoxybutyl)naphthalene is COCCCCc1ccc2ccccc2c1.
What is the InChIKey of 2-(4-methoxybutyl)naphthalene?
The InChIKey is ODHYPKKWRMKGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O/c1-16-11-5-4-6-13-9-10-14-7-2-3-8-15(14)12-13/h2-3,7-10,12H,4-6,11H2,1H3.
What are the key properties of 2-(4-methoxybutyl)naphthalene?
2-(4-methoxybutyl)naphthalene has a molecular weight of 214.31 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxybutyl)naphthalene is sourced from PubChem (CID 54126591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).