2-bromo-3-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalene

C13H13BrO — CID 14469117

IUPAC2-bromo-3-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalene
SMILESC#CCOC1Cc2ccccc2CC1Br
InChIInChI=1S/C13H13BrO/c1-2-7-15-13-9-11-6-4-3-5-10(11)8-12(13)14/h1,3-6,12-13H,7-9H2
InChIKeyFQRGMLVYPPFFKO-UHFFFAOYSA-N
MW265.15 g/mol
LogP2.57
Rot. Bonds2

About 2-bromo-3-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalene

2-bromo-3-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalene (PubChem CID 14469117) has the molecular formula C13H13BrO and a molecular weight of 265.15 g/mol. Its IUPAC name is 2-bromo-3-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2-bromo-3-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalene
PubChem CID14469117
Molecular FormulaC13H13BrO
Molecular Weight265.15 g/mol
Exact Mass264.01
IUPAC Name2-bromo-3-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalene
SMILESC#CCOC1Cc2ccccc2CC1Br
InChIInChI=1S/C13H13BrO/c1-2-7-15-13-9-11-6-4-3-5-10(11)8-12(13)14/h1,3-6,12-13H,7-9H2
InChIKeyFQRGMLVYPPFFKO-UHFFFAOYSA-N
XLogP2.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-1-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalene
CID 14469116
(2S)-N-[(1S,2R)-2-prop-2-ynoxy-2,3-dihydro-1H-inden-1-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 86648924
2-phenyl-5-prop-2-ynoxy-1,3-dioxane
CID 134275643
1,2-bis(prop-2-ynoxy)-1,2-dihydrocyclobuta[b]naphthalene
CID 155470800
(1S,2R)-2-bromo-2,3-dihydro-1H-inden-1-amine
CID 131850845
tert-butyl 2-[[(1S,2S)-2-prop-2-ynoxy-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 87571518
(1R)-7-prop-2-ynoxy-2,3-dihydro-1H-inden-1-ol
CID 130631314
(2S,3R)-3-prop-2-enoxy-1,2,3,4-tetrahydronaphthalen-2-ol
CID 102051158
N-prop-2-ynylbicyclo[4.2.0]octa-1,3,5-trien-7-amine
CID 130651955
(3S,3aR,6S,6aR)-3,6-bis(prop-2-ynoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 118862590
(1S,2R)-1-methyl-2-[2-[2-[[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]oxy]ethoxy]ethoxy]-2,3-dihydro-1H-indene
CID 155763743
(1R,2R)-2-bromo-1-isocyanato-2,3-dihydro-1H-indene
CID 24767137

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2-bromo-3-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalene (CID 14469117) is 2-bromo-3-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2-bromo-3-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2-bromo-3-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalene is C#CCOC1Cc2ccccc2CC1Br.
What is the InChIKey of 2-bromo-3-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalene?
The InChIKey is FQRGMLVYPPFFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrO/c1-2-7-15-13-9-11-6-4-3-5-10(11)8-12(13)14/h1,3-6,12-13H,7-9H2.
What are the key properties of 2-bromo-3-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalene?
2-bromo-3-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalene has a molecular weight of 265.15 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 14469117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).