2-[bromo-(4-methoxynaphthalen-1-yl)methyl]-5-methyloxolane

C17H19BrO2 — CID 81327868

IUPAC2-[bromo-(4-methoxynaphthalen-1-yl)methyl]-5-methyloxolane
SMILESCOc1ccc(C(Br)C2CCC(C)O2)c2ccccc12
InChIInChI=1S/C17H19BrO2/c1-11-7-9-16(20-11)17(18)14-8-10-15(19-2)13-6-4-3-5-12(13)14/h3-6,8,10-11,16-17H,7,9H2,1-2H3
InChIKeyMOXNQOVADHWOCK-UHFFFAOYSA-N
MW335.24 g/mol
LogP4.85
Rot. Bonds3

About 2-[bromo-(4-methoxynaphthalen-1-yl)methyl]-5-methyloxolane

2-[bromo-(4-methoxynaphthalen-1-yl)methyl]-5-methyloxolane (PubChem CID 81327868) has the molecular formula C17H19BrO2 and a molecular weight of 335.24 g/mol. Its IUPAC name is 2-[bromo-(4-methoxynaphthalen-1-yl)methyl]-5-methyloxolane.

Molecular Properties

Compound Name2-[bromo-(4-methoxynaphthalen-1-yl)methyl]-5-methyloxolane
PubChem CID81327868
Molecular FormulaC17H19BrO2
Molecular Weight335.24 g/mol
Exact Mass334.06
IUPAC Name2-[bromo-(4-methoxynaphthalen-1-yl)methyl]-5-methyloxolane
SMILESCOc1ccc(C(Br)C2CCC(C)O2)c2ccccc12
InChIInChI=1S/C17H19BrO2/c1-11-7-9-16(20-11)17(18)14-8-10-15(19-2)13-6-4-3-5-12(13)14/h3-6,8,10-11,16-17H,7,9H2,1-2H3
InChIKeyMOXNQOVADHWOCK-UHFFFAOYSA-N
XLogP4.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.24
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[bromo-(4-chloronaphthalen-1-yl)methyl]-5-methyloxolane
CID 81327702
2-[bromo-(3,4-dimethoxyphenyl)methyl]-5-methyloxolane
CID 81326671
1-(1-bromo-2-cyclobutylethyl)-4-methoxynaphthalene
CID 103165718
1-(1-bromo-2-methylpropyl)-4-methoxynaphthalene
CID 63439056
cyclopropyl-(4-methoxynaphthalen-1-yl)methanol
CID 61100695
(4-methoxynaphthalen-1-yl)-(oxolan-2-yl)methanamine
CID 43150779
2-[3-bromo-3-(4-methoxynaphthalen-1-yl)propyl]oxolane
CID 65157917
(4-methoxynaphthalen-1-yl)-(2-methylcyclopropyl)methanamine
CID 43150794
(4-methoxynaphthalen-1-yl)-(2-methylcyclopentyl)methanamine
CID 107177081
(1R)-1-(4-methoxynaphthalen-1-yl)ethanol
CID 82758527
1-(4-methoxynaphthalen-1-yl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 79755096
(3-bromo-4-methoxyphenyl)-(5-methyloxolan-2-yl)methanol
CID 81330381

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(4-methoxynaphthalen-1-yl)methyl]-5-methyloxolane?
The IUPAC name of 2-[bromo-(4-methoxynaphthalen-1-yl)methyl]-5-methyloxolane (CID 81327868) is 2-[bromo-(4-methoxynaphthalen-1-yl)methyl]-5-methyloxolane.
What is the SMILES notation for 2-[bromo-(4-methoxynaphthalen-1-yl)methyl]-5-methyloxolane?
The canonical SMILES for 2-[bromo-(4-methoxynaphthalen-1-yl)methyl]-5-methyloxolane is COc1ccc(C(Br)C2CCC(C)O2)c2ccccc12.
What is the InChIKey of 2-[bromo-(4-methoxynaphthalen-1-yl)methyl]-5-methyloxolane?
The InChIKey is MOXNQOVADHWOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO2/c1-11-7-9-16(20-11)17(18)14-8-10-15(19-2)13-6-4-3-5-12(13)14/h3-6,8,10-11,16-17H,7,9H2,1-2H3.
What are the key properties of 2-[bromo-(4-methoxynaphthalen-1-yl)methyl]-5-methyloxolane?
2-[bromo-(4-methoxynaphthalen-1-yl)methyl]-5-methyloxolane has a molecular weight of 335.24 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(4-methoxynaphthalen-1-yl)methyl]-5-methyloxolane is sourced from PubChem (CID 81327868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).