1-(4-methoxybutyl)naphthalene

C15H18O — CID 69278949

IUPAC1-(4-methoxybutyl)naphthalene
SMILESCOCCCCc1cccc2ccccc12
InChIInChI=1S/C15H18O/c1-16-12-5-4-8-14-10-6-9-13-7-2-3-11-15(13)14/h2-3,6-7,9-11H,4-5,8,12H2,1H3
InChIKeyHTMNNKZNKXUBSA-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.81
Rot. Bonds5

About 1-(4-methoxybutyl)naphthalene

1-(4-methoxybutyl)naphthalene (PubChem CID 69278949) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-(4-methoxybutyl)naphthalene.

Molecular Properties

Compound Name1-(4-methoxybutyl)naphthalene
PubChem CID69278949
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name1-(4-methoxybutyl)naphthalene
SMILESCOCCCCc1cccc2ccccc12
InChIInChI=1S/C15H18O/c1-16-12-5-4-8-14-10-6-9-13-7-2-3-11-15(13)14/h2-3,6-7,9-11H,4-5,8,12H2,1H3
InChIKeyHTMNNKZNKXUBSA-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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Related Compounds

1-[3-(3-naphthalen-1-ylpropoxy)propyl]naphthalene
CID 139748426
5-naphthalen-1-ylpentyl methanesulfonate
CID 19955547
1-tetradecylnaphthalene
CID 14402128
1-(4-fluorobutyl)naphthalene
CID 174977280
1-butylnaphthalene;ethane
CID 142087052
potassium;hydride;1-octylnaphthalene
CID 173443599
8-naphthalen-1-yloctan-1-amine
CID 100987116
azane;1-butylnaphthalene;methane
CID 174691035
3-(bromomethyl)-1-(3-methoxypropyl)naphthalene
CID 67542320
3-naphthalen-1-ylpropan-1-ol
CID 14711518
2-(3-methoxypropoxy)-N-(naphthalen-1-ylmethyl)ethanamine
CID 103178918
N,N-dimethyl-16-naphthalen-1-ylhexadecan-1-amine;hydrochloride
CID 174059419

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxybutyl)naphthalene?
The IUPAC name of 1-(4-methoxybutyl)naphthalene (CID 69278949) is 1-(4-methoxybutyl)naphthalene.
What is the SMILES notation for 1-(4-methoxybutyl)naphthalene?
The canonical SMILES for 1-(4-methoxybutyl)naphthalene is COCCCCc1cccc2ccccc12.
What is the InChIKey of 1-(4-methoxybutyl)naphthalene?
The InChIKey is HTMNNKZNKXUBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O/c1-16-12-5-4-8-14-10-6-9-13-7-2-3-11-15(13)14/h2-3,6-7,9-11H,4-5,8,12H2,1H3.
What are the key properties of 1-(4-methoxybutyl)naphthalene?
1-(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 1-(4-methoxybutyl)naphthalene is sourced from PubChem (CID 69278949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).