5-methoxy-1-naphthalen-1-ylpentan-1-ol

C16H20O2 — CID 112754213

IUPAC5-methoxy-1-naphthalen-1-ylpentan-1-ol
SMILESCOCCCCC(O)c1cccc2ccccc12
InChIInChI=1S/C16H20O2/c1-18-12-5-4-11-16(17)15-10-6-8-13-7-2-3-9-14(13)15/h2-3,6-10,16-17H,4-5,11-12H2,1H3
InChIKeyFVHAUISMPUSTIA-UHFFFAOYSA-N
MW244.33 g/mol
LogP3.69
Rot. Bonds6

About 5-methoxy-1-naphthalen-1-ylpentan-1-ol

5-methoxy-1-naphthalen-1-ylpentan-1-ol (PubChem CID 112754213) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 5-methoxy-1-naphthalen-1-ylpentan-1-ol.

Molecular Properties

Compound Name5-methoxy-1-naphthalen-1-ylpentan-1-ol
PubChem CID112754213
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name5-methoxy-1-naphthalen-1-ylpentan-1-ol
SMILESCOCCCCC(O)c1cccc2ccccc12
InChIInChI=1S/C16H20O2/c1-18-12-5-4-11-16(17)15-10-6-8-13-7-2-3-9-14(13)15/h2-3,6-10,16-17H,4-5,11-12H2,1H3
InChIKeyFVHAUISMPUSTIA-UHFFFAOYSA-N
XLogP3.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-1-naphthalen-1-ylpentan-1-ol
CID 102525591
(1S)-1-naphthalen-1-ylpropane-1,3-diol
CID 154706330
(1R)-1-naphthalen-1-ylpropan-1-ol
CID 10877844
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methoxyacetamide
CID 71787908
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
naphthalen-1-yl(3-naphthalen-1-ylbutoxy)methanol
CID 91010626
3-methoxy-1-quinolin-5-ylpropan-1-ol
CID 81220357
butyl-(3-hydroxy-3-naphthalen-1-ylpropyl)-dimethylazanium iodide
CID 158490821
(1S)-2-chloro-1-naphthalen-1-ylethanol
CID 68839318
(1R)-3-methyl-1-naphthalen-1-ylbut-3-en-1-ol
CID 102066780
2-methoxy-1-naphthalen-1-ylethanamine
CID 16790923
1-(4-methoxybutyl)naphthalene
CID 69278949

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-naphthalen-1-ylpentan-1-ol?
The IUPAC name of 5-methoxy-1-naphthalen-1-ylpentan-1-ol (CID 112754213) is 5-methoxy-1-naphthalen-1-ylpentan-1-ol.
What is the SMILES notation for 5-methoxy-1-naphthalen-1-ylpentan-1-ol?
The canonical SMILES for 5-methoxy-1-naphthalen-1-ylpentan-1-ol is COCCCCC(O)c1cccc2ccccc12.
What is the InChIKey of 5-methoxy-1-naphthalen-1-ylpentan-1-ol?
The InChIKey is FVHAUISMPUSTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c1-18-12-5-4-11-16(17)15-10-6-8-13-7-2-3-9-14(13)15/h2-3,6-10,16-17H,4-5,11-12H2,1H3.
What are the key properties of 5-methoxy-1-naphthalen-1-ylpentan-1-ol?
5-methoxy-1-naphthalen-1-ylpentan-1-ol has a molecular weight of 244.33 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-naphthalen-1-ylpentan-1-ol is sourced from PubChem (CID 112754213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).