1-(1-bromo-2-cyclobutylethyl)-4-methoxynaphthalene

C17H19BrO — CID 103165718

IUPAC1-(1-bromo-2-cyclobutylethyl)-4-methoxynaphthalene
SMILESCOc1ccc(C(Br)CC2CCC2)c2ccccc12
InChIInChI=1S/C17H19BrO/c1-19-17-10-9-14(13-7-2-3-8-15(13)17)16(18)11-12-5-4-6-12/h2-3,7-10,12,16H,4-6,11H2,1H3
InChIKeyOWLNMHUQAZQMGZ-UHFFFAOYSA-N
MW319.24 g/mol
LogP5.47
Rot. Bonds4

About 1-(1-bromo-2-cyclobutylethyl)-4-methoxynaphthalene

1-(1-bromo-2-cyclobutylethyl)-4-methoxynaphthalene (PubChem CID 103165718) has the molecular formula C17H19BrO and a molecular weight of 319.24 g/mol. Its IUPAC name is 1-(1-bromo-2-cyclobutylethyl)-4-methoxynaphthalene.

Molecular Properties

Compound Name1-(1-bromo-2-cyclobutylethyl)-4-methoxynaphthalene
PubChem CID103165718
Molecular FormulaC17H19BrO
Molecular Weight319.24 g/mol
Exact Mass318.06
IUPAC Name1-(1-bromo-2-cyclobutylethyl)-4-methoxynaphthalene
SMILESCOc1ccc(C(Br)CC2CCC2)c2ccccc12
InChIInChI=1S/C17H19BrO/c1-19-17-10-9-14(13-7-2-3-8-15(13)17)16(18)11-12-5-4-6-12/h2-3,7-10,12,16H,4-6,11H2,1H3
InChIKeyOWLNMHUQAZQMGZ-UHFFFAOYSA-N
XLogP5.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.24
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-cyclobutyl-1-(4-methoxynaphthalen-1-yl)ethanol
CID 103165335
1-(1-bromo-2-cyclopentylethyl)-4-chloronaphthalene
CID 79597680
2-[3-bromo-3-(4-methoxynaphthalen-1-yl)propyl]oxolane
CID 65157917
cyclopropyl-(4-methoxynaphthalen-1-yl)methanol
CID 61100695
(4-methoxynaphthalen-1-yl)-(2-methylcyclopentyl)methanamine
CID 107177081
1-(1-bromo-2-methylpropyl)-4-methoxynaphthalene
CID 63439056
2-[bromo-(4-methoxynaphthalen-1-yl)methyl]-5-methyloxolane
CID 81327868
(1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxynaphthalen-1-yl)ethanol
CID 171266215
2-bromo-1-(1-bromo-2-cyclohexylethyl)-4-methoxybenzene
CID 63443650
(1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxynaphthalen-1-yl)ethanol;hydrochloride
CID 171266216
1-(1-bromo-2-cyclobutylethyl)-4-methoxybenzene
CID 103165731
[2-bromo-2-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cycloheptane
CID 114458761

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromo-2-cyclobutylethyl)-4-methoxynaphthalene?
The IUPAC name of 1-(1-bromo-2-cyclobutylethyl)-4-methoxynaphthalene (CID 103165718) is 1-(1-bromo-2-cyclobutylethyl)-4-methoxynaphthalene.
What is the SMILES notation for 1-(1-bromo-2-cyclobutylethyl)-4-methoxynaphthalene?
The canonical SMILES for 1-(1-bromo-2-cyclobutylethyl)-4-methoxynaphthalene is COc1ccc(C(Br)CC2CCC2)c2ccccc12.
What is the InChIKey of 1-(1-bromo-2-cyclobutylethyl)-4-methoxynaphthalene?
The InChIKey is OWLNMHUQAZQMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO/c1-19-17-10-9-14(13-7-2-3-8-15(13)17)16(18)11-12-5-4-6-12/h2-3,7-10,12,16H,4-6,11H2,1H3.
What are the key properties of 1-(1-bromo-2-cyclobutylethyl)-4-methoxynaphthalene?
1-(1-bromo-2-cyclobutylethyl)-4-methoxynaphthalene has a molecular weight of 319.24 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromo-2-cyclobutylethyl)-4-methoxynaphthalene is sourced from PubChem (CID 103165718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).