2-naphthalen-1-yl-1,3-dioxole

C13H10O2 — CID 67839712

IUPAC2-naphthalen-1-yl-1,3-dioxole
SMILESC1=COC(c2cccc3ccccc23)O1
InChIInChI=1S/C13H10O2/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13/h1-9,13H
InChIKeyMYMPRMNIVLVJCA-UHFFFAOYSA-N
MW198.22 g/mol
LogP3.36
Rot. Bonds1

About 2-naphthalen-1-yl-1,3-dioxole

2-naphthalen-1-yl-1,3-dioxole (PubChem CID 67839712) has the molecular formula C13H10O2 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-naphthalen-1-yl-1,3-dioxole.

Molecular Properties

Compound Name2-naphthalen-1-yl-1,3-dioxole
PubChem CID67839712
Molecular FormulaC13H10O2
Molecular Weight198.22 g/mol
Exact Mass198.07
IUPAC Name2-naphthalen-1-yl-1,3-dioxole
SMILESC1=COC(c2cccc3ccccc23)O1
InChIInChI=1S/C13H10O2/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13/h1-9,13H
InChIKeyMYMPRMNIVLVJCA-UHFFFAOYSA-N
XLogP3.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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5-naphthalen-1-yl-5H-tetrazole
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3,5-dinaphthalen-1-yl-1,4,2-dioxazole
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4-tert-butyl-5-naphthalen-1-yl-5H-1,3-oxazol-2-one
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(2S,3R)-2-ethenyl-3-naphthalen-1-yloxirane
CID 71408013
2-naphthalen-1-ylcyclopropan-1-amine
CID 43810345
3-methyl-2-naphthalen-1-yl-2H-azirine
CID 11217607
(5S)-3-methylidene-5-naphthalen-1-yloxolan-2-one
CID 102168852
(2R,4R)-2-naphthalen-1-yl-4-propan-2-yl-1,3-dioxane
CID 102122949
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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-1,3-dioxole?
The IUPAC name of 2-naphthalen-1-yl-1,3-dioxole (CID 67839712) is 2-naphthalen-1-yl-1,3-dioxole.
What is the SMILES notation for 2-naphthalen-1-yl-1,3-dioxole?
The canonical SMILES for 2-naphthalen-1-yl-1,3-dioxole is C1=COC(c2cccc3ccccc23)O1.
What is the InChIKey of 2-naphthalen-1-yl-1,3-dioxole?
The InChIKey is MYMPRMNIVLVJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O2/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13/h1-9,13H.
What are the key properties of 2-naphthalen-1-yl-1,3-dioxole?
2-naphthalen-1-yl-1,3-dioxole has a molecular weight of 198.22 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-1,3-dioxole is sourced from PubChem (CID 67839712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).