2-[bromo-(6-methoxynaphthalen-2-yl)methyl]-3-methylfuran

C17H15BrO2 — CID 63444447

IUPAC2-[bromo-(6-methoxynaphthalen-2-yl)methyl]-3-methylfuran
SMILESCOc1ccc2cc(C(Br)c3occc3C)ccc2c1
InChIInChI=1S/C17H15BrO2/c1-11-7-8-20-17(11)16(18)14-4-3-13-10-15(19-2)6-5-12(13)9-14/h3-10,16H,1-2H3
InChIKeyLMTQAZDINHWGOQ-UHFFFAOYSA-N
MW331.21 g/mol
LogP5.23
Rot. Bonds3

About 2-[bromo-(6-methoxynaphthalen-2-yl)methyl]-3-methylfuran

2-[bromo-(6-methoxynaphthalen-2-yl)methyl]-3-methylfuran (PubChem CID 63444447) has the molecular formula C17H15BrO2 and a molecular weight of 331.21 g/mol. Its IUPAC name is 2-[bromo-(6-methoxynaphthalen-2-yl)methyl]-3-methylfuran.

Molecular Properties

Compound Name2-[bromo-(6-methoxynaphthalen-2-yl)methyl]-3-methylfuran
PubChem CID63444447
Molecular FormulaC17H15BrO2
Molecular Weight331.21 g/mol
Exact Mass330.03
IUPAC Name2-[bromo-(6-methoxynaphthalen-2-yl)methyl]-3-methylfuran
SMILESCOc1ccc2cc(C(Br)c3occc3C)ccc2c1
InChIInChI=1S/C17H15BrO2/c1-11-7-8-20-17(11)16(18)14-4-3-13-10-15(19-2)6-5-12(13)9-14/h3-10,16H,1-2H3
InChIKeyLMTQAZDINHWGOQ-UHFFFAOYSA-N
XLogP5.23
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.21
LogP ≤ 55.23
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-(2,5-dimethoxyphenyl)methyl]-3-methylfuran
CID 61096479
3-[bromo-(6-methoxynaphthalen-2-yl)methyl]-4-methylthiophene
CID 79808743
3-[bromo-(6-methoxynaphthalen-2-yl)methyl]-2,5-dimethylfuran
CID 63444446
2-[bromo(phenyl)methyl]-6-methoxynaphthalene
CID 63444351
2-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-3-methylfuran
CID 63439439
(2-bromofuran-3-yl)-(6-methoxynaphthalen-2-yl)methanamine
CID 106851764
(6-methoxynaphthalen-2-yl)-(5-methylfuran-3-yl)methanol
CID 114822321
2-bromo-2-(6-methoxynaphthalen-2-yl)acetonitrile
CID 83085596
3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoic acid
CID 10599
(4-methoxy-3,5-dimethylphenyl)-(3-methylfuran-2-yl)methanol
CID 83068781
1-[bromo-(4-methoxyphenyl)methyl]-4-methylbenzene
CID 51340411
methoxy-(6-methoxynaphthalen-2-yl)methanamine
CID 116947369

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(6-methoxynaphthalen-2-yl)methyl]-3-methylfuran?
The IUPAC name of 2-[bromo-(6-methoxynaphthalen-2-yl)methyl]-3-methylfuran (CID 63444447) is 2-[bromo-(6-methoxynaphthalen-2-yl)methyl]-3-methylfuran.
What is the SMILES notation for 2-[bromo-(6-methoxynaphthalen-2-yl)methyl]-3-methylfuran?
The canonical SMILES for 2-[bromo-(6-methoxynaphthalen-2-yl)methyl]-3-methylfuran is COc1ccc2cc(C(Br)c3occc3C)ccc2c1.
What is the InChIKey of 2-[bromo-(6-methoxynaphthalen-2-yl)methyl]-3-methylfuran?
The InChIKey is LMTQAZDINHWGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrO2/c1-11-7-8-20-17(11)16(18)14-4-3-13-10-15(19-2)6-5-12(13)9-14/h3-10,16H,1-2H3.
What are the key properties of 2-[bromo-(6-methoxynaphthalen-2-yl)methyl]-3-methylfuran?
2-[bromo-(6-methoxynaphthalen-2-yl)methyl]-3-methylfuran has a molecular weight of 331.21 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(6-methoxynaphthalen-2-yl)methyl]-3-methylfuran is sourced from PubChem (CID 63444447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).