[2-(2-propoxyethoxy)naphthalen-1-yl]methanol

C16H20O3 — CID 106453720

IUPAC[2-(2-propoxyethoxy)naphthalen-1-yl]methanol
SMILESCCCOCCOc1ccc2ccccc2c1CO
InChIInChI=1S/C16H20O3/c1-2-9-18-10-11-19-16-8-7-13-5-3-4-6-14(13)15(16)12-17/h3-8,17H,2,9-12H2,1H3
InChIKeyDTKHWANBXYUCIM-UHFFFAOYSA-N
MW260.33 g/mol
LogP3.14
Rot. Bonds7

About [2-(2-propoxyethoxy)naphthalen-1-yl]methanol

[2-(2-propoxyethoxy)naphthalen-1-yl]methanol (PubChem CID 106453720) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is [2-(2-propoxyethoxy)naphthalen-1-yl]methanol.

Molecular Properties

Compound Name[2-(2-propoxyethoxy)naphthalen-1-yl]methanol
PubChem CID106453720
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name[2-(2-propoxyethoxy)naphthalen-1-yl]methanol
SMILESCCCOCCOc1ccc2ccccc2c1CO
InChIInChI=1S/C16H20O3/c1-2-9-18-10-11-19-16-8-7-13-5-3-4-6-14(13)15(16)12-17/h3-8,17H,2,9-12H2,1H3
InChIKeyDTKHWANBXYUCIM-UHFFFAOYSA-N
XLogP3.14
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-propoxyethoxy)naphthalen-1-yl]ethanamine
CID 106455544
1-bromo-2-(2-propoxyethoxy)naphthalene
CID 106452980
[2-(2-propoxyethoxy)naphthalen-1-yl]boronic acid
CID 106454176
2-[2-[1-(ethylaminomethyl)naphthalen-2-yl]oxyethoxy]ethanol
CID 61070673
1-ethyl-2-propoxynaphthalene
CID 129259410
[2-(3-methylbutoxy)naphthalen-1-yl]methanol
CID 43505713
[2-(methoxymethoxy)naphthalen-1-yl]methanol
CID 65364950
2-[2-[2-[1-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethoxy]ethoxy]ethanol
CID 12994977
3-butoxy-N-[(2-propoxynaphthalen-1-yl)methyl]propan-1-amine
CID 29225674
3-[1-(hydroxymethyl)naphthalen-2-yl]oxy-N-propan-2-ylpropanamide
CID 62626433
[2-(2-butoxyethoxy)naphthalen-1-yl]boronic acid
CID 61483476
N,N-diethyl-2-[1-(hydroxymethyl)naphthalen-2-yl]oxyacetamide
CID 43505758

Frequently Asked Questions

What is the IUPAC name of [2-(2-propoxyethoxy)naphthalen-1-yl]methanol?
The IUPAC name of [2-(2-propoxyethoxy)naphthalen-1-yl]methanol (CID 106453720) is [2-(2-propoxyethoxy)naphthalen-1-yl]methanol.
What is the SMILES notation for [2-(2-propoxyethoxy)naphthalen-1-yl]methanol?
The canonical SMILES for [2-(2-propoxyethoxy)naphthalen-1-yl]methanol is CCCOCCOc1ccc2ccccc2c1CO.
What is the InChIKey of [2-(2-propoxyethoxy)naphthalen-1-yl]methanol?
The InChIKey is DTKHWANBXYUCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O3/c1-2-9-18-10-11-19-16-8-7-13-5-3-4-6-14(13)15(16)12-17/h3-8,17H,2,9-12H2,1H3.
What are the key properties of [2-(2-propoxyethoxy)naphthalen-1-yl]methanol?
[2-(2-propoxyethoxy)naphthalen-1-yl]methanol has a molecular weight of 260.33 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-propoxyethoxy)naphthalen-1-yl]methanol is sourced from PubChem (CID 106453720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).