2-(3-naphthalen-1-ylprop-2-ynoxy)oxane

C18H18O2 — CID 146003722

IUPAC2-(3-naphthalen-1-ylprop-2-ynoxy)oxane
SMILESC(#Cc1cccc2ccccc12)COC1CCCCO1
InChIInChI=1S/C18H18O2/c1-2-11-17-15(7-1)8-5-9-16(17)10-6-14-20-18-12-3-4-13-19-18/h1-2,5,7-9,11,18H,3-4,12-14H2
InChIKeyJNKRAHGRCGURBZ-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.73
Rot. Bonds2

About 2-(3-naphthalen-1-ylprop-2-ynoxy)oxane

2-(3-naphthalen-1-ylprop-2-ynoxy)oxane (PubChem CID 146003722) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(3-naphthalen-1-ylprop-2-ynoxy)oxane.

Molecular Properties

Compound Name2-(3-naphthalen-1-ylprop-2-ynoxy)oxane
PubChem CID146003722
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name2-(3-naphthalen-1-ylprop-2-ynoxy)oxane
SMILESC(#Cc1cccc2ccccc12)COC1CCCCO1
InChIInChI=1S/C18H18O2/c1-2-11-17-15(7-1)8-5-9-16(17)10-6-14-20-18-12-3-4-13-19-18/h1-2,5,7-9,11,18H,3-4,12-14H2
InChIKeyJNKRAHGRCGURBZ-UHFFFAOYSA-N
XLogP3.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-[3-(oxan-2-yloxy)prop-1-ynyl]phenyl]methanol
CID 15647828
2-(3-phenylprop-2-ynoxy)oxane
CID 11665682
2-[[2-[3-[3-[2-(oxan-2-yloxymethyl)phenyl]prop-2-ynoxy]prop-1-ynyl]phenyl]methoxy]oxane
CID 71520522
2-(naphthalen-1-ylmethoxy)oxane
CID 15471078
2-ethyl-6-[3-(oxan-2-yloxy)prop-1-ynyl]pyridine
CID 155226523
2-(4-phenoxybut-2-ynoxy)oxane
CID 19849494
2-[3-(5-chloro-2-methoxyphenyl)prop-2-ynoxy]oxane
CID 146002899
4-[3-(oxan-2-yloxy)prop-1-ynyl]benzonitrile
CID 166449331
2-[3-(3-ethylphenyl)prop-2-ynoxy]oxane
CID 59407658
2-(2-naphthalen-1-ylethynyl)oxolane
CID 102141439
2-[3-(oxan-2-yloxy)prop-1-ynyl]-3-(trifluoromethylsulfanyl)-1-benzofuran-7-ol
CID 178148094
(1S)-4-(oxan-2-yloxy)-1-phenylbut-2-yn-1-ol
CID 165344268

Frequently Asked Questions

What is the IUPAC name of 2-(3-naphthalen-1-ylprop-2-ynoxy)oxane?
The IUPAC name of 2-(3-naphthalen-1-ylprop-2-ynoxy)oxane (CID 146003722) is 2-(3-naphthalen-1-ylprop-2-ynoxy)oxane.
What is the SMILES notation for 2-(3-naphthalen-1-ylprop-2-ynoxy)oxane?
The canonical SMILES for 2-(3-naphthalen-1-ylprop-2-ynoxy)oxane is C(#Cc1cccc2ccccc12)COC1CCCCO1.
What is the InChIKey of 2-(3-naphthalen-1-ylprop-2-ynoxy)oxane?
The InChIKey is JNKRAHGRCGURBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-2-11-17-15(7-1)8-5-9-16(17)10-6-14-20-18-12-3-4-13-19-18/h1-2,5,7-9,11,18H,3-4,12-14H2.
What are the key properties of 2-(3-naphthalen-1-ylprop-2-ynoxy)oxane?
2-(3-naphthalen-1-ylprop-2-ynoxy)oxane has a molecular weight of 266.34 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-naphthalen-1-ylprop-2-ynoxy)oxane is sourced from PubChem (CID 146003722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).