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

C13H13BrO — CID 14469116

IUPAC2-bromo-1-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalene
SMILESC#CCOC1c2ccccc2CCC1Br
InChIInChI=1S/C13H13BrO/c1-2-9-15-13-11-6-4-3-5-10(11)7-8-12(13)14/h1,3-6,12-13H,7-9H2
InChIKeyAHGMXXPXQCTDSF-UHFFFAOYSA-N
MW265.15 g/mol
LogP3.09
Rot. Bonds2

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

2-bromo-1-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalene (PubChem CID 14469116) has the molecular formula C13H13BrO and a molecular weight of 265.15 g/mol. Its IUPAC name is 2-bromo-1-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2-bromo-1-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalene
PubChem CID14469116
Molecular FormulaC13H13BrO
Molecular Weight265.15 g/mol
Exact Mass264.01
IUPAC Name2-bromo-1-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalene
SMILESC#CCOC1c2ccccc2CCC1Br
InChIInChI=1S/C13H13BrO/c1-2-9-15-13-11-6-4-3-5-10(11)7-8-12(13)14/h1,3-6,12-13H,7-9H2
InChIKeyAHGMXXPXQCTDSF-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
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-3-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalene
CID 14469117
1,2-bis(prop-2-ynoxy)-1,2-dihydrocyclobuta[b]naphthalene
CID 155470800
(1R,2R)-2-bromo-1-(2-bromo-4-methylphenoxy)-1,2,3,4-tetrahydronaphthalene
CID 10475823
N-(2,3-dihydro-1H-inden-1-yl)-N-prop-2-ynylmethanesulfonamide
CID 156963728
1-(2,3-dihydro-1H-inden-1-yloxymethoxy)-2,3-dihydro-1H-indene
CID 70037925
[(1R,2S)-2-bromo-1,2,3,4-tetrahydronaphthalen-1-yl]hydrazine
CID 124633942
N-but-3-ynyl-2,3-dihydro-1H-inden-1-amine
CID 63656053
5-bromo-7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 63514780
2,3-dihydro-1H-inden-1-yl(prop-2-ynyl)sulfamic acid
CID 170458147
[(1R)-2,3-dihydro-1H-inden-1-yl]-prop-2-ynylsulfamic acid
CID 125404549
N-pent-4-ynyl-2,3-dihydro-1H-inden-1-amine
CID 115724846
1-(2,3-dihydro-1H-inden-1-yl)pent-4-yn-1-ol
CID 65409805

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2-bromo-1-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalene (CID 14469116) is 2-bromo-1-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2-bromo-1-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2-bromo-1-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalene is C#CCOC1c2ccccc2CCC1Br.
What is the InChIKey of 2-bromo-1-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalene?
The InChIKey is AHGMXXPXQCTDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrO/c1-2-9-15-13-11-6-4-3-5-10(11)7-8-12(13)14/h1,3-6,12-13H,7-9H2.
What are the key properties of 2-bromo-1-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalene?
2-bromo-1-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalene has a molecular weight of 265.15 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 14469116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).