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

C18H17BrO2 — CID 79095333

IUPAC2-[bromo-(4-methoxynaphthalen-1-yl)methyl]-5-ethylfuran
SMILESCCc1ccc(C(Br)c2ccc(OC)c3ccccc23)o1
InChIInChI=1S/C18H17BrO2/c1-3-12-8-10-17(21-12)18(19)15-9-11-16(20-2)14-7-5-4-6-13(14)15/h4-11,18H,3H2,1-2H3
InChIKeyMLRYGTAYQBYBIF-UHFFFAOYSA-N
MW345.24 g/mol
LogP5.49
Rot. Bonds4

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

2-[bromo-(4-methoxynaphthalen-1-yl)methyl]-5-ethylfuran (PubChem CID 79095333) has the molecular formula C18H17BrO2 and a molecular weight of 345.24 g/mol. Its IUPAC name is 2-[bromo-(4-methoxynaphthalen-1-yl)methyl]-5-ethylfuran.

Molecular Properties

Compound Name2-[bromo-(4-methoxynaphthalen-1-yl)methyl]-5-ethylfuran
PubChem CID79095333
Molecular FormulaC18H17BrO2
Molecular Weight345.24 g/mol
Exact Mass344.04
IUPAC Name2-[bromo-(4-methoxynaphthalen-1-yl)methyl]-5-ethylfuran
SMILESCCc1ccc(C(Br)c2ccc(OC)c3ccccc23)o1
InChIInChI=1S/C18H17BrO2/c1-3-12-8-10-17(21-12)18(19)15-9-11-16(20-2)14-7-5-4-6-13(14)15/h4-11,18H,3H2,1-2H3
InChIKeyMLRYGTAYQBYBIF-UHFFFAOYSA-N
XLogP5.49
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.24
LogP ≤ 55.49
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

1-(1-bromo-2-methylpropyl)-4-methoxynaphthalene
CID 63439056
1-(1-chlorobutyl)-4-methoxynaphthalene
CID 63430592
1-(1-chloro-2-ethylbutyl)-4-methoxynaphthalene
CID 63430865
(1R)-1-(4-methoxynaphthalen-1-yl)ethanol
CID 82758527
1-(1-bromo-2-cyclobutylethyl)-4-methoxynaphthalene
CID 103165718
2-(5-bromo-2-methoxyphenyl)-N-ethyl-1-(5-ethylfuran-2-yl)ethanamine
CID 115817184
1-methoxy-4-[2,2,2-trichloro-1-(4-methoxynaphthalen-1-yl)ethyl]naphthalene
CID 2202790
1-(4-methoxynaphthalen-1-yl)-N,2-dimethylbutan-1-amine
CID 43480864
1-(5-ethylfuran-2-yl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 79095977
(5-chloro-2-methoxyphenyl)-(5-ethylfuran-2-yl)methanamine
CID 55061748
2-[bromo-(4-methoxynaphthalen-1-yl)methyl]-5-methyloxolane
CID 81327868
1-(4-methoxynaphthalen-1-yl)octan-1-ol
CID 63426458

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(4-methoxynaphthalen-1-yl)methyl]-5-ethylfuran?
The IUPAC name of 2-[bromo-(4-methoxynaphthalen-1-yl)methyl]-5-ethylfuran (CID 79095333) is 2-[bromo-(4-methoxynaphthalen-1-yl)methyl]-5-ethylfuran.
What is the SMILES notation for 2-[bromo-(4-methoxynaphthalen-1-yl)methyl]-5-ethylfuran?
The canonical SMILES for 2-[bromo-(4-methoxynaphthalen-1-yl)methyl]-5-ethylfuran is CCc1ccc(C(Br)c2ccc(OC)c3ccccc23)o1.
What is the InChIKey of 2-[bromo-(4-methoxynaphthalen-1-yl)methyl]-5-ethylfuran?
The InChIKey is MLRYGTAYQBYBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrO2/c1-3-12-8-10-17(21-12)18(19)15-9-11-16(20-2)14-7-5-4-6-13(14)15/h4-11,18H,3H2,1-2H3.
What are the key properties of 2-[bromo-(4-methoxynaphthalen-1-yl)methyl]-5-ethylfuran?
2-[bromo-(4-methoxynaphthalen-1-yl)methyl]-5-ethylfuran has a molecular weight of 345.24 g/mol, XLogP of 5.49, 4 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-ethylfuran is sourced from PubChem (CID 79095333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).