4-naphthalen-1-yloxybut-2-yn-1-ol

C14H12O2 — CID 123667335

IUPAC4-naphthalen-1-yloxybut-2-yn-1-ol
SMILESOCC#CCOc1cccc2ccccc12
InChIInChI=1S/C14H12O2/c15-10-3-4-11-16-14-9-5-7-12-6-1-2-8-13(12)14/h1-2,5-9,15H,10-11H2
InChIKeyGLQSOGAZVPJKQC-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.21
Rot. Bonds2

About 4-naphthalen-1-yloxybut-2-yn-1-ol

4-naphthalen-1-yloxybut-2-yn-1-ol (PubChem CID 123667335) has the molecular formula C14H12O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-naphthalen-1-yloxybut-2-yn-1-ol.

Molecular Properties

Compound Name4-naphthalen-1-yloxybut-2-yn-1-ol
PubChem CID123667335
Molecular FormulaC14H12O2
Molecular Weight212.25 g/mol
Exact Mass212.08
IUPAC Name4-naphthalen-1-yloxybut-2-yn-1-ol
SMILESOCC#CCOc1cccc2ccccc12
InChIInChI=1S/C14H12O2/c15-10-3-4-11-16-14-9-5-7-12-6-1-2-8-13(12)14/h1-2,5-9,15H,10-11H2
InChIKeyGLQSOGAZVPJKQC-UHFFFAOYSA-N
XLogP2.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromoprop-2-ynoxy)naphthalene
CID 12678022
2-naphthalen-1-yloxyacetonitrile
CID 4123375
benzene;naphthalen-1-yloxymethanol
CID 70447137
N-(4-naphthalen-1-yloxybut-2-ynyl)benzamide
CID 90578060
3-chloro-N-(4-naphthalen-1-yloxybut-2-ynyl)propanamide
CID 90578056
1-[3-(4-methoxyphenyl)prop-2-ynoxy]naphthalene
CID 135016241
N-(4-naphthalen-1-yloxybut-2-ynyl)cyclopentanecarboxamide
CID 90578043
N-(4-naphthalen-1-yloxybut-2-ynyl)cyclobutanecarboxamide
CID 90578198
N-(4-naphthalen-1-yloxybut-2-ynyl)-3,3-diphenylpropanamide
CID 121131597
4-bromo-N-(4-naphthalen-1-yloxybut-2-ynyl)butanamide
CID 90578167
(naphthalen-1-yloxymethylamino)methanol
CID 54336494
[2-(4-hydroxybut-2-ynoxy)phenyl]-oxoazanium
CID 144946267

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yloxybut-2-yn-1-ol?
The IUPAC name of 4-naphthalen-1-yloxybut-2-yn-1-ol (CID 123667335) is 4-naphthalen-1-yloxybut-2-yn-1-ol.
What is the SMILES notation for 4-naphthalen-1-yloxybut-2-yn-1-ol?
The canonical SMILES for 4-naphthalen-1-yloxybut-2-yn-1-ol is OCC#CCOc1cccc2ccccc12.
What is the InChIKey of 4-naphthalen-1-yloxybut-2-yn-1-ol?
The InChIKey is GLQSOGAZVPJKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2/c15-10-3-4-11-16-14-9-5-7-12-6-1-2-8-13(12)14/h1-2,5-9,15H,10-11H2.
What are the key properties of 4-naphthalen-1-yloxybut-2-yn-1-ol?
4-naphthalen-1-yloxybut-2-yn-1-ol has a molecular weight of 212.25 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-yloxybut-2-yn-1-ol is sourced from PubChem (CID 123667335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).