2-prop-2-ynoxy-1-(2-prop-2-ynoxynaphthalen-1-yl)naphthalene

C26H18O2 — CID 11175897

IUPAC2-prop-2-ynoxy-1-(2-prop-2-ynoxynaphthalen-1-yl)naphthalene
SMILESC#CCOc1ccc2ccccc2c1-c1c(OCC#C)ccc2ccccc12
InChIInChI=1S/C26H18O2/c1-3-17-27-23-15-13-19-9-5-7-11-21(19)25(23)26-22-12-8-6-10-20(22)14-16-24(26)28-18-4-2/h1-2,5-16H,17-18H2
InChIKeyVPBKKJPWBJOGKC-UHFFFAOYSA-N
MW362.43 g/mol
LogP5.68
Rot. Bonds5

About 2-prop-2-ynoxy-1-(2-prop-2-ynoxynaphthalen-1-yl)naphthalene

2-prop-2-ynoxy-1-(2-prop-2-ynoxynaphthalen-1-yl)naphthalene (PubChem CID 11175897) has the molecular formula C26H18O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-prop-2-ynoxy-1-(2-prop-2-ynoxynaphthalen-1-yl)naphthalene.

Molecular Properties

Compound Name2-prop-2-ynoxy-1-(2-prop-2-ynoxynaphthalen-1-yl)naphthalene
PubChem CID11175897
Molecular FormulaC26H18O2
Molecular Weight362.43 g/mol
Exact Mass362.13
IUPAC Name2-prop-2-ynoxy-1-(2-prop-2-ynoxynaphthalen-1-yl)naphthalene
SMILESC#CCOc1ccc2ccccc2c1-c1c(OCC#C)ccc2ccccc12
InChIInChI=1S/C26H18O2/c1-3-17-27-23-15-13-19-9-5-7-11-21(19)25(23)26-22-12-8-6-10-20(22)14-16-24(26)28-18-4-2/h1-2,5-16H,17-18H2
InChIKeyVPBKKJPWBJOGKC-UHFFFAOYSA-N
XLogP5.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.43
LogP ≤ 55.68
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

6-phenyl-1-(6-phenyl-2-prop-2-ynoxynaphthalen-1-yl)-2-prop-2-ynoxynaphthalene
CID 141246680
1-prop-2-enyl-2-prop-2-ynoxynaphthalene
CID 71425133
CID 175833725
CID 175833725
N,N'-bis[(2-prop-2-ynoxynaphthalen-1-yl)methyl]hexane-1,6-diamine
CID 44531760
2-methyl-3-prop-2-ynoxynaphthalene
CID 167077991
4-prop-2-ynoxynaphthalen-1-ol
CID 135353868
1-(2-prop-2-ynoxynaphthalen-1-yl)butan-2-amine
CID 54929503
2-[2-[2-[2-[2-(4-ethynylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1-[2-[2-[2-[2-[2-(4-ethynylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-1-yl]naphthalene
CID 102084471
2,3-bis(prop-2-ynoxy)naphthalen-1-ol
CID 155666633
(2R)-N-[(2-prop-2-ynoxynaphthalen-1-yl)methyl]butan-2-amine
CID 94074371
2-[1-[2-(2-chloro-2-oxoethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyacetyl chloride
CID 25112232
1-[2-[4-[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]naphthalen-2-ol
CID 12008941

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-ynoxy-1-(2-prop-2-ynoxynaphthalen-1-yl)naphthalene?
The IUPAC name of 2-prop-2-ynoxy-1-(2-prop-2-ynoxynaphthalen-1-yl)naphthalene (CID 11175897) is 2-prop-2-ynoxy-1-(2-prop-2-ynoxynaphthalen-1-yl)naphthalene.
What is the SMILES notation for 2-prop-2-ynoxy-1-(2-prop-2-ynoxynaphthalen-1-yl)naphthalene?
The canonical SMILES for 2-prop-2-ynoxy-1-(2-prop-2-ynoxynaphthalen-1-yl)naphthalene is C#CCOc1ccc2ccccc2c1-c1c(OCC#C)ccc2ccccc12.
What is the InChIKey of 2-prop-2-ynoxy-1-(2-prop-2-ynoxynaphthalen-1-yl)naphthalene?
The InChIKey is VPBKKJPWBJOGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18O2/c1-3-17-27-23-15-13-19-9-5-7-11-21(19)25(23)26-22-12-8-6-10-20(22)14-16-24(26)28-18-4-2/h1-2,5-16H,17-18H2.
What are the key properties of 2-prop-2-ynoxy-1-(2-prop-2-ynoxynaphthalen-1-yl)naphthalene?
2-prop-2-ynoxy-1-(2-prop-2-ynoxynaphthalen-1-yl)naphthalene has a molecular weight of 362.43 g/mol, XLogP of 5.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-ynoxy-1-(2-prop-2-ynoxynaphthalen-1-yl)naphthalene is sourced from PubChem (CID 11175897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).