1-pent-3-ynoxynaphthalene

C15H14O — CID 54390918

IUPAC1-pent-3-ynoxynaphthalene
SMILESCC#CCCOc1cccc2ccccc12
InChIInChI=1S/C15H14O/c1-2-3-6-12-16-15-11-7-9-13-8-4-5-10-14(13)15/h4-5,7-11H,6,12H2,1H3
InChIKeyVGOLXYAHJPKOFD-UHFFFAOYSA-N
MW210.28 g/mol
LogP3.63
Rot. Bonds3

About 1-pent-3-ynoxynaphthalene

1-pent-3-ynoxynaphthalene (PubChem CID 54390918) has the molecular formula C15H14O and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-pent-3-ynoxynaphthalene.

Molecular Properties

Compound Name1-pent-3-ynoxynaphthalene
PubChem CID54390918
Molecular FormulaC15H14O
Molecular Weight210.28 g/mol
Exact Mass210.10
IUPAC Name1-pent-3-ynoxynaphthalene
SMILESCC#CCCOc1cccc2ccccc12
InChIInChI=1S/C15H14O/c1-2-3-6-12-16-15-11-7-9-13-8-4-5-10-14(13)15/h4-5,7-11H,6,12H2,1H3
InChIKeyVGOLXYAHJPKOFD-UHFFFAOYSA-N
XLogP3.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2-pent-3-ynoxyphenyl)methanamine
CID 104804318
N-[(2-pent-3-ynoxynaphthalen-1-yl)methyl]ethanamine
CID 104804665
1-butoxynaphthalene
CID 13262700
1-(3-chloropropoxy)naphthalene
CID 12685615
1-pent-3-ynoxynaphthalene-2-carboxylic acid
CID 113455142
1-(4-methylpentoxy)naphthalene
CID 83168126
1-(2-pent-3-ynoxyphenyl)propan-1-ol
CID 104808206
N-methyl-1-(2-pent-3-ynoxyphenyl)ethanamine
CID 104804559
lithium;1-ethoxynaphthalene;hydride
CID 174613942
4-naphthalen-1-yloxybut-2-yn-1-ol
CID 123667335
1-(3-bromoprop-2-ynoxy)naphthalene
CID 12678022
2-naphthalen-1-yloxyethyl acetate
CID 23049663

Frequently Asked Questions

What is the IUPAC name of 1-pent-3-ynoxynaphthalene?
The IUPAC name of 1-pent-3-ynoxynaphthalene (CID 54390918) is 1-pent-3-ynoxynaphthalene.
What is the SMILES notation for 1-pent-3-ynoxynaphthalene?
The canonical SMILES for 1-pent-3-ynoxynaphthalene is CC#CCCOc1cccc2ccccc12.
What is the InChIKey of 1-pent-3-ynoxynaphthalene?
The InChIKey is VGOLXYAHJPKOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O/c1-2-3-6-12-16-15-11-7-9-13-8-4-5-10-14(13)15/h4-5,7-11H,6,12H2,1H3.
What are the key properties of 1-pent-3-ynoxynaphthalene?
1-pent-3-ynoxynaphthalene has a molecular weight of 210.28 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-3-ynoxynaphthalene is sourced from PubChem (CID 54390918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).