1-[3-(3-naphthalen-1-ylpropoxy)propyl]naphthalene

C26H26O — CID 139748426

IUPAC1-[3-(3-naphthalen-1-ylpropoxy)propyl]naphthalene
SMILESc1ccc2c(CCCOCCCc3cccc4ccccc34)cccc2c1
InChIInChI=1S/C26H26O/c1-3-17-25-21(9-1)11-5-13-23(25)15-7-19-27-20-8-16-24-14-6-12-22-10-2-4-18-26(22)24/h1-6,9-14,17-18H,7-8,15-16,19-20H2
InChIKeyZSUDLFCTZWIELP-UHFFFAOYSA-N
MW354.49 g/mol
LogP6.57
Rot. Bonds8

About 1-[3-(3-naphthalen-1-ylpropoxy)propyl]naphthalene

1-[3-(3-naphthalen-1-ylpropoxy)propyl]naphthalene (PubChem CID 139748426) has the molecular formula C26H26O and a molecular weight of 354.49 g/mol. Its IUPAC name is 1-[3-(3-naphthalen-1-ylpropoxy)propyl]naphthalene.

Molecular Properties

Compound Name1-[3-(3-naphthalen-1-ylpropoxy)propyl]naphthalene
PubChem CID139748426
Molecular FormulaC26H26O
Molecular Weight354.49 g/mol
Exact Mass354.20
IUPAC Name1-[3-(3-naphthalen-1-ylpropoxy)propyl]naphthalene
SMILESc1ccc2c(CCCOCCCc3cccc4ccccc34)cccc2c1
InChIInChI=1S/C26H26O/c1-3-17-25-21(9-1)11-5-13-23(25)15-7-19-27-20-8-16-24-14-6-12-22-10-2-4-18-26(22)24/h1-6,9-14,17-18H,7-8,15-16,19-20H2
InChIKeyZSUDLFCTZWIELP-UHFFFAOYSA-N
XLogP6.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.49
LogP ≤ 56.57
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-(4-methoxybutyl)naphthalene
CID 69278949
3-naphthalen-1-ylpropyl carbamate
CID 175301350
CID 140892810
CID 140892810
3-naphthalen-1-ylpropan-1-ol
CID 14711518
CID 140892702
CID 140892702
1-butylnaphthalene;ethane
CID 142087052
1-(4-fluorobutyl)naphthalene
CID 174977280
8-naphthalen-1-yloctan-1-amine
CID 100987116
azane;1-butylnaphthalene;methane
CID 174691035
1-tetradecylnaphthalene
CID 14402128
N,N-dimethyl-2-(2-naphthalen-1-ylethoxy)ethanamine;hydrochloride
CID 22666549
3-[2-(2-naphthalen-1-ylethoxy)ethoxy]propanenitrile
CID 69073430

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-naphthalen-1-ylpropoxy)propyl]naphthalene?
The IUPAC name of 1-[3-(3-naphthalen-1-ylpropoxy)propyl]naphthalene (CID 139748426) is 1-[3-(3-naphthalen-1-ylpropoxy)propyl]naphthalene.
What is the SMILES notation for 1-[3-(3-naphthalen-1-ylpropoxy)propyl]naphthalene?
The canonical SMILES for 1-[3-(3-naphthalen-1-ylpropoxy)propyl]naphthalene is c1ccc2c(CCCOCCCc3cccc4ccccc34)cccc2c1.
What is the InChIKey of 1-[3-(3-naphthalen-1-ylpropoxy)propyl]naphthalene?
The InChIKey is ZSUDLFCTZWIELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26O/c1-3-17-25-21(9-1)11-5-13-23(25)15-7-19-27-20-8-16-24-14-6-12-22-10-2-4-18-26(22)24/h1-6,9-14,17-18H,7-8,15-16,19-20H2.
What are the key properties of 1-[3-(3-naphthalen-1-ylpropoxy)propyl]naphthalene?
1-[3-(3-naphthalen-1-ylpropoxy)propyl]naphthalene has a molecular weight of 354.49 g/mol, XLogP of 6.57, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-naphthalen-1-ylpropoxy)propyl]naphthalene is sourced from PubChem (CID 139748426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).