3-[bromo-(6-methoxynaphthalen-2-yl)methyl]-2,5-dimethylfuran

C18H17BrO2 — CID 63444446

IUPAC3-[bromo-(6-methoxynaphthalen-2-yl)methyl]-2,5-dimethylfuran
SMILESCOc1ccc2cc(C(Br)c3cc(C)oc3C)ccc2c1
InChIInChI=1S/C18H17BrO2/c1-11-8-17(12(2)21-11)18(19)15-5-4-14-10-16(20-3)7-6-13(14)9-15/h4-10,18H,1-3H3
InChIKeyWLMGZAVPABHJME-UHFFFAOYSA-N
MW345.24 g/mol
LogP5.54
Rot. Bonds3

About 3-[bromo-(6-methoxynaphthalen-2-yl)methyl]-2,5-dimethylfuran

3-[bromo-(6-methoxynaphthalen-2-yl)methyl]-2,5-dimethylfuran (PubChem CID 63444446) has the molecular formula C18H17BrO2 and a molecular weight of 345.24 g/mol. Its IUPAC name is 3-[bromo-(6-methoxynaphthalen-2-yl)methyl]-2,5-dimethylfuran.

Molecular Properties

Compound Name3-[bromo-(6-methoxynaphthalen-2-yl)methyl]-2,5-dimethylfuran
PubChem CID63444446
Molecular FormulaC18H17BrO2
Molecular Weight345.24 g/mol
Exact Mass344.04
IUPAC Name3-[bromo-(6-methoxynaphthalen-2-yl)methyl]-2,5-dimethylfuran
SMILESCOc1ccc2cc(C(Br)c3cc(C)oc3C)ccc2c1
InChIInChI=1S/C18H17BrO2/c1-11-8-17(12(2)21-11)18(19)15-5-4-14-10-16(20-3)7-6-13(14)9-15/h4-10,18H,1-3H3
InChIKeyWLMGZAVPABHJME-UHFFFAOYSA-N
XLogP5.54
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.24
LogP ≤ 55.54
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

3-[bromo-(6-methoxynaphthalen-2-yl)methyl]-4-methylthiophene
CID 79808743
2-[bromo(phenyl)methyl]-6-methoxynaphthalene
CID 63444351
2-[bromo-(6-methoxynaphthalen-2-yl)methyl]-3-methylfuran
CID 63444447
2-bromo-2-(6-methoxynaphthalen-2-yl)acetonitrile
CID 83085596
2-bromo-1-[bromo-(3-bromo-4-methylphenyl)methyl]-4-methoxybenzene
CID 81476572
(5-chlorofuran-2-yl)-(6-methoxynaphthalen-2-yl)methanamine
CID 106684387
1-[bromo-(3,4-dichlorophenyl)methyl]-4-methoxy-2-methylbenzene
CID 63438789
(6-methoxynaphthalen-2-yl)-(5-methylfuran-3-yl)methanol
CID 114822321
2-(6-methoxynaphthalen-2-yl)-2-(methylamino)ethanol
CID 61055119
1-[bromo-(4-methoxyphenyl)methyl]-4-methylbenzene
CID 51340411
methoxy-(6-methoxynaphthalen-2-yl)methanamine
CID 116947369
amino-(6-methoxynaphthalen-2-yl)methanol
CID 116939708

Frequently Asked Questions

What is the IUPAC name of 3-[bromo-(6-methoxynaphthalen-2-yl)methyl]-2,5-dimethylfuran?
The IUPAC name of 3-[bromo-(6-methoxynaphthalen-2-yl)methyl]-2,5-dimethylfuran (CID 63444446) is 3-[bromo-(6-methoxynaphthalen-2-yl)methyl]-2,5-dimethylfuran.
What is the SMILES notation for 3-[bromo-(6-methoxynaphthalen-2-yl)methyl]-2,5-dimethylfuran?
The canonical SMILES for 3-[bromo-(6-methoxynaphthalen-2-yl)methyl]-2,5-dimethylfuran is COc1ccc2cc(C(Br)c3cc(C)oc3C)ccc2c1.
What is the InChIKey of 3-[bromo-(6-methoxynaphthalen-2-yl)methyl]-2,5-dimethylfuran?
The InChIKey is WLMGZAVPABHJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrO2/c1-11-8-17(12(2)21-11)18(19)15-5-4-14-10-16(20-3)7-6-13(14)9-15/h4-10,18H,1-3H3.
What are the key properties of 3-[bromo-(6-methoxynaphthalen-2-yl)methyl]-2,5-dimethylfuran?
3-[bromo-(6-methoxynaphthalen-2-yl)methyl]-2,5-dimethylfuran has a molecular weight of 345.24 g/mol, XLogP of 5.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bromo-(6-methoxynaphthalen-2-yl)methyl]-2,5-dimethylfuran is sourced from PubChem (CID 63444446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).