1-(2-bromoethyl)-3-methoxynaphthalene

C13H13BrO — CID 174397212

IUPAC1-(2-bromoethyl)-3-methoxynaphthalene
SMILESCOc1cc(CCBr)c2ccccc2c1
InChIInChI=1S/C13H13BrO/c1-15-12-8-10-4-2-3-5-13(10)11(9-12)6-7-14/h2-5,8-9H,6-7H2,1H3
InChIKeyQRYRRFHRSHXHRL-UHFFFAOYSA-N
MW265.15 g/mol
LogP3.79
Rot. Bonds3

About 1-(2-bromoethyl)-3-methoxynaphthalene

1-(2-bromoethyl)-3-methoxynaphthalene (PubChem CID 174397212) has the molecular formula C13H13BrO and a molecular weight of 265.15 g/mol. Its IUPAC name is 1-(2-bromoethyl)-3-methoxynaphthalene.

Molecular Properties

Compound Name1-(2-bromoethyl)-3-methoxynaphthalene
PubChem CID174397212
Molecular FormulaC13H13BrO
Molecular Weight265.15 g/mol
Exact Mass264.01
IUPAC Name1-(2-bromoethyl)-3-methoxynaphthalene
SMILESCOc1cc(CCBr)c2ccccc2c1
InChIInChI=1S/C13H13BrO/c1-15-12-8-10-4-2-3-5-13(10)11(9-12)6-7-14/h2-5,8-9H,6-7H2,1H3
InChIKeyQRYRRFHRSHXHRL-UHFFFAOYSA-N
XLogP3.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 53.79
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-(3-bromopropyl)-6-methoxynaphthalene
CID 11514645
1-(2-bromoethyl)naphthalene;hydrofluoride
CID 174588408
3-methoxy-1-(3-methoxynaphthalen-1-yl)oxynaphthalene
CID 138737035
2-[3-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]ethanol
CID 170782164
3-(bromomethyl)-1-(3-methoxypropyl)naphthalene
CID 67542320
2-(6-methoxynaphthalen-1-yl)acetic acid
CID 10398394
acetic acid;1-(2-bromoethyl)naphthalene
CID 174648093
(6-methoxynaphthalen-1-yl)methanethiol
CID 45117105
1-(2-bromoethyl)-3,5-dimethoxybenzene
CID 12560827
1-bromo-2-[(3,5-dimethoxyphenoxy)methyl]naphthalene
CID 86225110
2-[4-[3-(2-aminoethyl)-2-methoxynaphthalen-1-yl]-3-methoxynaphthalen-2-yl]ethanamine
CID 170886487
9-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]anthracene
CID 25028120

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethyl)-3-methoxynaphthalene?
The IUPAC name of 1-(2-bromoethyl)-3-methoxynaphthalene (CID 174397212) is 1-(2-bromoethyl)-3-methoxynaphthalene.
What is the SMILES notation for 1-(2-bromoethyl)-3-methoxynaphthalene?
The canonical SMILES for 1-(2-bromoethyl)-3-methoxynaphthalene is COc1cc(CCBr)c2ccccc2c1.
What is the InChIKey of 1-(2-bromoethyl)-3-methoxynaphthalene?
The InChIKey is QRYRRFHRSHXHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrO/c1-15-12-8-10-4-2-3-5-13(10)11(9-12)6-7-14/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 1-(2-bromoethyl)-3-methoxynaphthalene?
1-(2-bromoethyl)-3-methoxynaphthalene has a molecular weight of 265.15 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethyl)-3-methoxynaphthalene is sourced from PubChem (CID 174397212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).