2-[3-(methoxymethyl)naphthalen-1-yl]-1,3-dioxane

C16H18O3 — CID 68576625

IUPAC2-[3-(methoxymethyl)naphthalen-1-yl]-1,3-dioxane
SMILESCOCc1cc(C2OCCCO2)c2ccccc2c1
InChIInChI=1S/C16H18O3/c1-17-11-12-9-13-5-2-3-6-14(13)15(10-12)16-18-7-4-8-19-16/h2-3,5-6,9-10,16H,4,7-8,11H2,1H3
InChIKeyHYWWWNQGXHDEGH-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.42
Rot. Bonds3

About 2-[3-(methoxymethyl)naphthalen-1-yl]-1,3-dioxane

2-[3-(methoxymethyl)naphthalen-1-yl]-1,3-dioxane (PubChem CID 68576625) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)naphthalen-1-yl]-1,3-dioxane.

Molecular Properties

Compound Name2-[3-(methoxymethyl)naphthalen-1-yl]-1,3-dioxane
PubChem CID68576625
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name2-[3-(methoxymethyl)naphthalen-1-yl]-1,3-dioxane
SMILESCOCc1cc(C2OCCCO2)c2ccccc2c1
InChIInChI=1S/C16H18O3/c1-17-11-12-9-13-5-2-3-6-14(13)15(10-12)16-18-7-4-8-19-16/h2-3,5-6,9-10,16H,4,7-8,11H2,1H3
InChIKeyHYWWWNQGXHDEGH-UHFFFAOYSA-N
XLogP3.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)naphthalen-1-yl]-1,3-dioxane?
The IUPAC name of 2-[3-(methoxymethyl)naphthalen-1-yl]-1,3-dioxane (CID 68576625) is 2-[3-(methoxymethyl)naphthalen-1-yl]-1,3-dioxane.
What is the SMILES notation for 2-[3-(methoxymethyl)naphthalen-1-yl]-1,3-dioxane?
The canonical SMILES for 2-[3-(methoxymethyl)naphthalen-1-yl]-1,3-dioxane is COCc1cc(C2OCCCO2)c2ccccc2c1.
What is the InChIKey of 2-[3-(methoxymethyl)naphthalen-1-yl]-1,3-dioxane?
The InChIKey is HYWWWNQGXHDEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-17-11-12-9-13-5-2-3-6-14(13)15(10-12)16-18-7-4-8-19-16/h2-3,5-6,9-10,16H,4,7-8,11H2,1H3.
What are the key properties of 2-[3-(methoxymethyl)naphthalen-1-yl]-1,3-dioxane?
2-[3-(methoxymethyl)naphthalen-1-yl]-1,3-dioxane has a molecular weight of 258.32 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)naphthalen-1-yl]-1,3-dioxane is sourced from PubChem (CID 68576625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).