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

C15H17BrO — CID 63439056

IUPAC1-(1-bromo-2-methylpropyl)-4-methoxynaphthalene
SMILESCOc1ccc(C(Br)C(C)C)c2ccccc12
InChIInChI=1S/C15H17BrO/c1-10(2)15(16)13-8-9-14(17-3)12-7-5-4-6-11(12)13/h4-10,15H,1-3H3
InChIKeyYHNXEXMRMVVCDI-UHFFFAOYSA-N
MW293.20 g/mol
LogP4.94
Rot. Bonds3

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

1-(1-bromo-2-methylpropyl)-4-methoxynaphthalene (PubChem CID 63439056) has the molecular formula C15H17BrO and a molecular weight of 293.20 g/mol. Its IUPAC name is 1-(1-bromo-2-methylpropyl)-4-methoxynaphthalene.

Molecular Properties

Compound Name1-(1-bromo-2-methylpropyl)-4-methoxynaphthalene
PubChem CID63439056
Molecular FormulaC15H17BrO
Molecular Weight293.20 g/mol
Exact Mass292.05
IUPAC Name1-(1-bromo-2-methylpropyl)-4-methoxynaphthalene
SMILESCOc1ccc(C(Br)C(C)C)c2ccccc12
InChIInChI=1S/C15H17BrO/c1-10(2)15(16)13-8-9-14(17-3)12-7-5-4-6-11(12)13/h4-10,15H,1-3H3
InChIKeyYHNXEXMRMVVCDI-UHFFFAOYSA-N
XLogP4.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.20
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(1-bromo-2-methylpropyl)-4-methoxynaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-(4-methoxynaphthalen-1-yl)ethanol
CID 82758527
1-(4-methoxynaphthalen-1-yl)-2,2-dimethylpropan-1-ol
CID 61101734
2,4-bis(4-methoxynaphthalen-1-yl)pentan-3-one
CID 151420468
1-methoxy-4-[2,2,2-trichloro-1-(4-methoxynaphthalen-1-yl)ethyl]naphthalene
CID 2202790
2-bromo-2,2-difluoro-1-(4-methoxynaphthalen-1-yl)ethanol
CID 107140252
1-(1-bromo-2-cyclobutylethyl)-4-methoxynaphthalene
CID 103165718
(1R)-1-(4-methoxynaphthalen-1-yl)-3-methylbutan-1-amine;hydrochloride
CID 171213236
1-(1-bromoethyl)-2,3,4-trimethoxybenzene
CID 61096403
1-(4-methoxynaphthalen-1-yl)-N,2-dimethylbutan-1-amine
CID 43480864
(1R)-2,2,2-trifluoro-1-(4-methoxynaphthalen-1-yl)ethanamine
CID 29081387
2-[bromo-(4-methoxynaphthalen-1-yl)methyl]-5-methyloxolane
CID 81327868
2-[bromo-(4-methoxynaphthalen-1-yl)methyl]-5-ethylfuran
CID 79095333

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromo-2-methylpropyl)-4-methoxynaphthalene?
The IUPAC name of 1-(1-bromo-2-methylpropyl)-4-methoxynaphthalene (CID 63439056) is 1-(1-bromo-2-methylpropyl)-4-methoxynaphthalene.
What is the SMILES notation for 1-(1-bromo-2-methylpropyl)-4-methoxynaphthalene?
The canonical SMILES for 1-(1-bromo-2-methylpropyl)-4-methoxynaphthalene is COc1ccc(C(Br)C(C)C)c2ccccc12.
What is the InChIKey of 1-(1-bromo-2-methylpropyl)-4-methoxynaphthalene?
The InChIKey is YHNXEXMRMVVCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrO/c1-10(2)15(16)13-8-9-14(17-3)12-7-5-4-6-11(12)13/h4-10,15H,1-3H3.
What are the key properties of 1-(1-bromo-2-methylpropyl)-4-methoxynaphthalene?
1-(1-bromo-2-methylpropyl)-4-methoxynaphthalene has a molecular weight of 293.20 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromo-2-methylpropyl)-4-methoxynaphthalene is sourced from PubChem (CID 63439056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).