2-bromo-7-ethoxynaphthalene

C12H11BrO — CID 22240149

IUPAC2-bromo-7-ethoxynaphthalene
SMILESCCOc1ccc2ccc(Br)cc2c1
InChIInChI=1S/C12H11BrO/c1-2-14-12-6-4-9-3-5-11(13)7-10(9)8-12/h3-8H,2H2,1H3
InChIKeyNVVZLTAEKNTMLC-UHFFFAOYSA-N
MW251.12 g/mol
LogP4.00
Rot. Bonds2

About 2-bromo-7-ethoxynaphthalene

2-bromo-7-ethoxynaphthalene (PubChem CID 22240149) has the molecular formula C12H11BrO and a molecular weight of 251.12 g/mol. Its IUPAC name is 2-bromo-7-ethoxynaphthalene.

Molecular Properties

Compound Name2-bromo-7-ethoxynaphthalene
PubChem CID22240149
Molecular FormulaC12H11BrO
Molecular Weight251.12 g/mol
Exact Mass250.00
IUPAC Name2-bromo-7-ethoxynaphthalene
SMILESCCOc1ccc2ccc(Br)cc2c1
InChIInChI=1S/C12H11BrO/c1-2-14-12-6-4-9-3-5-11(13)7-10(9)8-12/h3-8H,2H2,1H3
InChIKeyNVVZLTAEKNTMLC-UHFFFAOYSA-N
XLogP4.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.12
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-diethoxyanthracene
CID 12651989
2-bromo-6-(ethoxymethoxy)naphthalene
CID 65369248
2-ethoxynaphthalene
CID 118978197
2-bromo-6-(methoxymethoxy)naphthalene
CID 14499197
ethoxyethane;2-ethoxynaphthalene
CID 118982387
(2-amino-5-bromophenyl)-(7-ethoxynaphthalen-2-yl)methanone
CID 138983241
2-bromo-6-[2-(bromomethyl)butoxy]naphthalene
CID 64995269
1-bromo-6-ethoxynaphthalene
CID 151004603
1-(6-bromonaphthalen-2-yl)oxypropan-2-ol
CID 65278074
2-bromo-6-[(3,5-dimethylphenyl)methoxy]naphthalene
CID 60624731
1-bromo-3-ethoxybenzene;ethane
CID 143900364
2-bromo-6-(4-bromobutoxy)naphthalene
CID 43165163

Frequently Asked Questions

What is the IUPAC name of 2-bromo-7-ethoxynaphthalene?
The IUPAC name of 2-bromo-7-ethoxynaphthalene (CID 22240149) is 2-bromo-7-ethoxynaphthalene.
What is the SMILES notation for 2-bromo-7-ethoxynaphthalene?
The canonical SMILES for 2-bromo-7-ethoxynaphthalene is CCOc1ccc2ccc(Br)cc2c1.
What is the InChIKey of 2-bromo-7-ethoxynaphthalene?
The InChIKey is NVVZLTAEKNTMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrO/c1-2-14-12-6-4-9-3-5-11(13)7-10(9)8-12/h3-8H,2H2,1H3.
What are the key properties of 2-bromo-7-ethoxynaphthalene?
2-bromo-7-ethoxynaphthalene has a molecular weight of 251.12 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7-ethoxynaphthalene is sourced from PubChem (CID 22240149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).