2,6-bis(prop-2-ynoxy)naphthalene

C16H12O2 — CID 12710422

IUPAC2,6-bis(prop-2-ynoxy)naphthalene
SMILESC#CCOc1ccc2cc(OCC#C)ccc2c1
InChIInChI=1S/C16H12O2/c1-3-9-17-15-7-5-14-12-16(18-10-4-2)8-6-13(14)11-15/h1-2,5-8,11-12H,9-10H2
InChIKeyKHDYTWZCIPSMNZ-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.86
Rot. Bonds4

About 2,6-bis(prop-2-ynoxy)naphthalene

2,6-bis(prop-2-ynoxy)naphthalene (PubChem CID 12710422) has the molecular formula C16H12O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2,6-bis(prop-2-ynoxy)naphthalene.

Molecular Properties

Compound Name2,6-bis(prop-2-ynoxy)naphthalene
PubChem CID12710422
Molecular FormulaC16H12O2
Molecular Weight236.27 g/mol
Exact Mass236.08
IUPAC Name2,6-bis(prop-2-ynoxy)naphthalene
SMILESC#CCOc1ccc2cc(OCC#C)ccc2c1
InChIInChI=1S/C16H12O2/c1-3-9-17-15-7-5-14-12-16(18-10-4-2)8-6-13(14)11-15/h1-2,5-8,11-12H,9-10H2
InChIKeyKHDYTWZCIPSMNZ-UHFFFAOYSA-N
XLogP2.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,6-bis(prop-2-ynoxy)naphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(prop-2-ynoxy)naphthalene?
The IUPAC name of 2,6-bis(prop-2-ynoxy)naphthalene (CID 12710422) is 2,6-bis(prop-2-ynoxy)naphthalene.
What is the SMILES notation for 2,6-bis(prop-2-ynoxy)naphthalene?
The canonical SMILES for 2,6-bis(prop-2-ynoxy)naphthalene is C#CCOc1ccc2cc(OCC#C)ccc2c1.
What is the InChIKey of 2,6-bis(prop-2-ynoxy)naphthalene?
The InChIKey is KHDYTWZCIPSMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O2/c1-3-9-17-15-7-5-14-12-16(18-10-4-2)8-6-13(14)11-15/h1-2,5-8,11-12H,9-10H2.
What are the key properties of 2,6-bis(prop-2-ynoxy)naphthalene?
2,6-bis(prop-2-ynoxy)naphthalene has a molecular weight of 236.27 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(prop-2-ynoxy)naphthalene is sourced from PubChem (CID 12710422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).