2-[naphthalen-2-yl(prop-2-ynoxy)methyl]oxirane

C16H14O2 — CID 10799946

IUPAC2-[naphthalen-2-yl(prop-2-ynoxy)methyl]oxirane
SMILESC#CCOC(c1ccc2ccccc2c1)C1CO1
InChIInChI=1S/C16H14O2/c1-2-9-17-16(15-11-18-15)14-8-7-12-5-3-4-6-13(12)10-14/h1,3-8,10,15-16H,9,11H2
InChIKeyRYYWZTTZFPGHAC-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.93
Rot. Bonds4

About 2-[naphthalen-2-yl(prop-2-ynoxy)methyl]oxirane

2-[naphthalen-2-yl(prop-2-ynoxy)methyl]oxirane (PubChem CID 10799946) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[naphthalen-2-yl(prop-2-ynoxy)methyl]oxirane.

Molecular Properties

Compound Name2-[naphthalen-2-yl(prop-2-ynoxy)methyl]oxirane
PubChem CID10799946
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name2-[naphthalen-2-yl(prop-2-ynoxy)methyl]oxirane
SMILESC#CCOC(c1ccc2ccccc2c1)C1CO1
InChIInChI=1S/C16H14O2/c1-2-9-17-16(15-11-18-15)14-8-7-12-5-3-4-6-13(12)10-14/h1,3-8,10,15-16H,9,11H2
InChIKeyRYYWZTTZFPGHAC-UHFFFAOYSA-N
XLogP2.93
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-[oxiran-2-yl(prop-2-ynoxy)methyl]-1,3-benzodioxole
CID 10681062
1,2-bis(prop-2-ynoxy)-1,2-dihydrocyclobuta[b]naphthalene
CID 155470800
[(2R)-2-naphthalen-2-yloxy-2-[(2S)-oxiran-2-yl]ethyl] methanesulfonate
CID 87381062
(2R,3R)-3-methyl-2-naphthalen-2-ylhex-5-yn-3-ol
CID 178185600
bis(1-naphthalen-2-ylprop-2-ynyl) carbonate
CID 175442376
amino(naphthalen-2-yl)methanethiol
CID 116939563
(2S)-2-(naphthalen-2-yloxymethyl)oxirane
CID 726163
(1,2-dinaphthalen-2-yl-2-trimethylsilyloxyethoxy)-trimethylsilane
CID 10575884
1-naphthalen-2-yloxy-3-prop-2-ynoxypropan-2-ol
CID 101173009
N-methyl-1-naphthalen-2-yl-2-(oxolan-2-yl)ethanamine
CID 55104166
2-methyl-3-(1-naphthalen-2-ylethoxy)propane-1-thiol
CID 21429458
(2R)-2-naphthalen-2-yl-2-phenylmethoxyacetonitrile
CID 94037815

Frequently Asked Questions

What is the IUPAC name of 2-[naphthalen-2-yl(prop-2-ynoxy)methyl]oxirane?
The IUPAC name of 2-[naphthalen-2-yl(prop-2-ynoxy)methyl]oxirane (CID 10799946) is 2-[naphthalen-2-yl(prop-2-ynoxy)methyl]oxirane.
What is the SMILES notation for 2-[naphthalen-2-yl(prop-2-ynoxy)methyl]oxirane?
The canonical SMILES for 2-[naphthalen-2-yl(prop-2-ynoxy)methyl]oxirane is C#CCOC(c1ccc2ccccc2c1)C1CO1.
What is the InChIKey of 2-[naphthalen-2-yl(prop-2-ynoxy)methyl]oxirane?
The InChIKey is RYYWZTTZFPGHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2/c1-2-9-17-16(15-11-18-15)14-8-7-12-5-3-4-6-13(12)10-14/h1,3-8,10,15-16H,9,11H2.
What are the key properties of 2-[naphthalen-2-yl(prop-2-ynoxy)methyl]oxirane?
2-[naphthalen-2-yl(prop-2-ynoxy)methyl]oxirane has a molecular weight of 238.29 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[naphthalen-2-yl(prop-2-ynoxy)methyl]oxirane is sourced from PubChem (CID 10799946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).