8-ethynyl-1-methoxy-3-(methoxymethoxy)naphthalene

C15H14O3 — CID 168999938

IUPAC8-ethynyl-1-methoxy-3-(methoxymethoxy)naphthalene
SMILESC#Cc1cccc2cc(OCOC)cc(OC)c12
InChIInChI=1S/C15H14O3/c1-4-11-6-5-7-12-8-13(18-10-16-2)9-14(17-3)15(11)12/h1,5-9H,10H2,2-3H3
InChIKeyQIARBAOGOCHLCH-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.81
Rot. Bonds4

About 8-ethynyl-1-methoxy-3-(methoxymethoxy)naphthalene

8-ethynyl-1-methoxy-3-(methoxymethoxy)naphthalene (PubChem CID 168999938) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 8-ethynyl-1-methoxy-3-(methoxymethoxy)naphthalene.

Molecular Properties

Compound Name8-ethynyl-1-methoxy-3-(methoxymethoxy)naphthalene
PubChem CID168999938
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name8-ethynyl-1-methoxy-3-(methoxymethoxy)naphthalene
SMILESC#Cc1cccc2cc(OCOC)cc(OC)c12
InChIInChI=1S/C15H14O3/c1-4-11-6-5-7-12-8-13(18-10-16-2)9-14(17-3)15(11)12/h1,5-9H,10H2,2-3H3
InChIKeyQIARBAOGOCHLCH-UHFFFAOYSA-N
XLogP2.81
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-ethynyl-1-methoxy-3-(methoxymethoxy)naphthalene?
The IUPAC name of 8-ethynyl-1-methoxy-3-(methoxymethoxy)naphthalene (CID 168999938) is 8-ethynyl-1-methoxy-3-(methoxymethoxy)naphthalene.
What is the SMILES notation for 8-ethynyl-1-methoxy-3-(methoxymethoxy)naphthalene?
The canonical SMILES for 8-ethynyl-1-methoxy-3-(methoxymethoxy)naphthalene is C#Cc1cccc2cc(OCOC)cc(OC)c12.
What is the InChIKey of 8-ethynyl-1-methoxy-3-(methoxymethoxy)naphthalene?
The InChIKey is QIARBAOGOCHLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-4-11-6-5-7-12-8-13(18-10-16-2)9-14(17-3)15(11)12/h1,5-9H,10H2,2-3H3.
What are the key properties of 8-ethynyl-1-methoxy-3-(methoxymethoxy)naphthalene?
8-ethynyl-1-methoxy-3-(methoxymethoxy)naphthalene has a molecular weight of 242.27 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethynyl-1-methoxy-3-(methoxymethoxy)naphthalene is sourced from PubChem (CID 168999938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).