1-(3-bromoprop-2-ynoxy)naphthalene

C13H9BrO — CID 12678022

IUPAC1-(3-bromoprop-2-ynoxy)naphthalene
SMILESBrC#CCOc1cccc2ccccc12
InChIInChI=1S/C13H9BrO/c14-9-4-10-15-13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8H,10H2
InChIKeyMRFKUBIZGDRLAP-UHFFFAOYSA-N
MW261.12 g/mol
LogP3.57
Rot. Bonds2

About 1-(3-bromoprop-2-ynoxy)naphthalene

1-(3-bromoprop-2-ynoxy)naphthalene (PubChem CID 12678022) has the molecular formula C13H9BrO and a molecular weight of 261.12 g/mol. Its IUPAC name is 1-(3-bromoprop-2-ynoxy)naphthalene.

Molecular Properties

Compound Name1-(3-bromoprop-2-ynoxy)naphthalene
PubChem CID12678022
Molecular FormulaC13H9BrO
Molecular Weight261.12 g/mol
Exact Mass259.98
IUPAC Name1-(3-bromoprop-2-ynoxy)naphthalene
SMILESBrC#CCOc1cccc2ccccc12
InChIInChI=1S/C13H9BrO/c14-9-4-10-15-13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8H,10H2
InChIKeyMRFKUBIZGDRLAP-UHFFFAOYSA-N
XLogP3.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-naphthalen-1-yloxybut-2-yn-1-ol
CID 123667335
2-naphthalen-1-yloxyacetonitrile
CID 4123375
N-(4-naphthalen-1-yloxybut-2-ynyl)benzamide
CID 90578060
1-[3-(4-methoxyphenyl)prop-2-ynoxy]naphthalene
CID 135016241
4-bromo-N-(4-naphthalen-1-yloxybut-2-ynyl)butanamide
CID 90578167
benzene;naphthalen-1-yloxymethanol
CID 70447137
1-pent-3-ynoxynaphthalene
CID 54390918
3-chloro-N-(4-naphthalen-1-yloxybut-2-ynyl)propanamide
CID 90578056
lithium;1-ethoxynaphthalene;hydride
CID 174613942
1-(3-chloropropoxy)naphthalene
CID 12685615
5-bromo-N-(4-naphthalen-1-yloxybut-2-ynyl)furan-2-carboxamide
CID 90578147
1,4-bis(3-bromoprop-2-ynoxy)benzene
CID 14207055

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromoprop-2-ynoxy)naphthalene?
The IUPAC name of 1-(3-bromoprop-2-ynoxy)naphthalene (CID 12678022) is 1-(3-bromoprop-2-ynoxy)naphthalene.
What is the SMILES notation for 1-(3-bromoprop-2-ynoxy)naphthalene?
The canonical SMILES for 1-(3-bromoprop-2-ynoxy)naphthalene is BrC#CCOc1cccc2ccccc12.
What is the InChIKey of 1-(3-bromoprop-2-ynoxy)naphthalene?
The InChIKey is MRFKUBIZGDRLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrO/c14-9-4-10-15-13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8H,10H2.
What are the key properties of 1-(3-bromoprop-2-ynoxy)naphthalene?
1-(3-bromoprop-2-ynoxy)naphthalene has a molecular weight of 261.12 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromoprop-2-ynoxy)naphthalene is sourced from PubChem (CID 12678022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).