2,3-bis(but-2-ynoxy)naphthalene

C18H16O2 — CID 155470576

IUPAC2,3-bis(but-2-ynoxy)naphthalene
SMILESCC#CCOc1cc2ccccc2cc1OCC#CC
InChIInChI=1S/C18H16O2/c1-3-5-11-19-17-13-15-9-7-8-10-16(15)14-18(17)20-12-6-4-2/h7-10,13-14H,11-12H2,1-2H3
InChIKeyBSINGRRNSMHTBK-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.64
Rot. Bonds4

About 2,3-bis(but-2-ynoxy)naphthalene

2,3-bis(but-2-ynoxy)naphthalene (PubChem CID 155470576) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2,3-bis(but-2-ynoxy)naphthalene.

Molecular Properties

Compound Name2,3-bis(but-2-ynoxy)naphthalene
PubChem CID155470576
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name2,3-bis(but-2-ynoxy)naphthalene
SMILESCC#CCOc1cc2ccccc2cc1OCC#CC
InChIInChI=1S/C18H16O2/c1-3-5-11-19-17-13-15-9-7-8-10-16(15)14-18(17)20-12-6-4-2/h7-10,13-14H,11-12H2,1-2H3
InChIKeyBSINGRRNSMHTBK-UHFFFAOYSA-N
XLogP3.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.64
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

3-but-2-ynoxy-4-[2-(3-but-2-ynoxyphenanthren-4-yl)ethynyl]phenanthrene
CID 132942107
2-(2-but-2-ynoxyphenyl)ethanol
CID 107258140
1-(2-but-2-ynoxyphenyl)ethanol
CID 62311561
1-but-2-ynoxy-3-methoxybenzene
CID 12759697
N-[(2-but-2-ynoxynaphthalen-1-yl)methyl]ethanamine
CID 62311911
2-but-2-ynoxybenzamide
CID 177469094
1-but-2-ynoxy-2-fluoro-3-methylbenzene
CID 103988295
2-methyl-3-prop-2-ynoxynaphthalene
CID 167077991
1-(2-but-2-ynoxyphenyl)propan-1-one
CID 62312337
1,2,4-tris(but-2-ynoxy)-5-(2-methylprop-1-enyl)benzene
CID 170196749
1-but-2-ynoxy-4-chloro-2-methoxybenzene
CID 131198166
1-but-2-ynoxy-4-chlorobenzene
CID 64765646

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(but-2-ynoxy)naphthalene?
The IUPAC name of 2,3-bis(but-2-ynoxy)naphthalene (CID 155470576) is 2,3-bis(but-2-ynoxy)naphthalene.
What is the SMILES notation for 2,3-bis(but-2-ynoxy)naphthalene?
The canonical SMILES for 2,3-bis(but-2-ynoxy)naphthalene is CC#CCOc1cc2ccccc2cc1OCC#CC.
What is the InChIKey of 2,3-bis(but-2-ynoxy)naphthalene?
The InChIKey is BSINGRRNSMHTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2/c1-3-5-11-19-17-13-15-9-7-8-10-16(15)14-18(17)20-12-6-4-2/h7-10,13-14H,11-12H2,1-2H3.
What are the key properties of 2,3-bis(but-2-ynoxy)naphthalene?
2,3-bis(but-2-ynoxy)naphthalene has a molecular weight of 264.32 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(but-2-ynoxy)naphthalene is sourced from PubChem (CID 155470576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).