2-[bromo(phenyl)methyl]-6-methoxynaphthalene

C18H15BrO — CID 63444351

IUPAC2-[bromo(phenyl)methyl]-6-methoxynaphthalene
SMILESCOc1ccc2cc(C(Br)c3ccccc3)ccc2c1
InChIInChI=1S/C18H15BrO/c1-20-17-10-9-14-11-16(8-7-15(14)12-17)18(19)13-5-3-2-4-6-13/h2-12,18H,1H3
InChIKeyUGACVUSNUQVDIN-UHFFFAOYSA-N
MW327.22 g/mol
LogP5.33
Rot. Bonds3

About 2-[bromo(phenyl)methyl]-6-methoxynaphthalene

2-[bromo(phenyl)methyl]-6-methoxynaphthalene (PubChem CID 63444351) has the molecular formula C18H15BrO and a molecular weight of 327.22 g/mol. Its IUPAC name is 2-[bromo(phenyl)methyl]-6-methoxynaphthalene.

Molecular Properties

Compound Name2-[bromo(phenyl)methyl]-6-methoxynaphthalene
PubChem CID63444351
Molecular FormulaC18H15BrO
Molecular Weight327.22 g/mol
Exact Mass326.03
IUPAC Name2-[bromo(phenyl)methyl]-6-methoxynaphthalene
SMILESCOc1ccc2cc(C(Br)c3ccccc3)ccc2c1
InChIInChI=1S/C18H15BrO/c1-20-17-10-9-14-11-16(8-7-15(14)12-17)18(19)13-5-3-2-4-6-13/h2-12,18H,1H3
InChIKeyUGACVUSNUQVDIN-UHFFFAOYSA-N
XLogP5.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.22
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene
CID 70877905
1-[bromo-(4-chlorophenyl)methyl]-3-methoxybenzene
CID 63437203
3-[bromo-(6-methoxynaphthalen-2-yl)methyl]-2,5-dimethylfuran
CID 63444446
2-[(3-bromophenyl)-chloromethyl]-6-methoxynaphthalene
CID 63443947
1-[bromo-(4-methoxyphenyl)methyl]-4-methylbenzene
CID 51340411
2-[bromo-(4-methylphenyl)methyl]naphthalene
CID 63437307
1-[bromo(phenyl)methyl]-3-methoxy-5-methylbenzene
CID 58027393
2-bromo-2-(6-methoxynaphthalen-2-yl)acetonitrile
CID 83085596
2-bromo-1-(6-methoxynaphthalen-2-yl)ethanol
CID 116863268
2-[bromo-(6-methoxynaphthalen-2-yl)methyl]-3-methylfuran
CID 63444447
3-[bromo-(6-methoxynaphthalen-2-yl)methyl]-4-methylthiophene
CID 79808743
5-[bromo-(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indene
CID 63437562

Frequently Asked Questions

What is the IUPAC name of 2-[bromo(phenyl)methyl]-6-methoxynaphthalene?
The IUPAC name of 2-[bromo(phenyl)methyl]-6-methoxynaphthalene (CID 63444351) is 2-[bromo(phenyl)methyl]-6-methoxynaphthalene.
What is the SMILES notation for 2-[bromo(phenyl)methyl]-6-methoxynaphthalene?
The canonical SMILES for 2-[bromo(phenyl)methyl]-6-methoxynaphthalene is COc1ccc2cc(C(Br)c3ccccc3)ccc2c1.
What is the InChIKey of 2-[bromo(phenyl)methyl]-6-methoxynaphthalene?
The InChIKey is UGACVUSNUQVDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrO/c1-20-17-10-9-14-11-16(8-7-15(14)12-17)18(19)13-5-3-2-4-6-13/h2-12,18H,1H3.
What are the key properties of 2-[bromo(phenyl)methyl]-6-methoxynaphthalene?
2-[bromo(phenyl)methyl]-6-methoxynaphthalene has a molecular weight of 327.22 g/mol, XLogP of 5.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo(phenyl)methyl]-6-methoxynaphthalene is sourced from PubChem (CID 63444351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).