1-bromo-6-ethoxynaphthalene

C12H11BrO — CID 151004603

IUPAC1-bromo-6-ethoxynaphthalene
SMILESCCOc1ccc2c(Br)cccc2c1
InChIInChI=1S/C12H11BrO/c1-2-14-10-6-7-11-9(8-10)4-3-5-12(11)13/h3-8H,2H2,1H3
InChIKeyLUVAVHOEWPFNFA-UHFFFAOYSA-N
MW251.12 g/mol
LogP4.00
Rot. Bonds2

About 1-bromo-6-ethoxynaphthalene

1-bromo-6-ethoxynaphthalene (PubChem CID 151004603) has the molecular formula C12H11BrO and a molecular weight of 251.12 g/mol. Its IUPAC name is 1-bromo-6-ethoxynaphthalene.

Molecular Properties

Compound Name1-bromo-6-ethoxynaphthalene
PubChem CID151004603
Molecular FormulaC12H11BrO
Molecular Weight251.12 g/mol
Exact Mass250.00
IUPAC Name1-bromo-6-ethoxynaphthalene
SMILESCCOc1ccc2c(Br)cccc2c1
InChIInChI=1S/C12H11BrO/c1-2-14-10-6-7-11-9(8-10)4-3-5-12(11)13/h3-8H,2H2,1H3
InChIKeyLUVAVHOEWPFNFA-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-ethoxynaphthalene
CID 118978197
2-bromo-7-ethoxynaphthalene
CID 22240149
1,7-diethoxynaphthalene
CID 13359547
4-bromo-7-ethoxyquinoline
CID 119087799
2,6-diethoxyanthracene
CID 12651989
ethoxyethane;2-ethoxynaphthalene
CID 118982387
1,6-diethoxynaphthalene;naphthalene-1,6-diol
CID 162064301
1-bromo-3-ethoxybenzene;ethane
CID 143900364
6-ethoxyisoquinolin-1-amine
CID 82062973
1-(5-bromonaphthalen-2-yl)-2,2-dimethylbutan-1-amine
CID 139609907
bis(5-ethoxynaphthalen-2-yl) carbonate
CID 68732940
3-bromo-2-ethoxybenzenethiol
CID 91874337

Frequently Asked Questions

What is the IUPAC name of 1-bromo-6-ethoxynaphthalene?
The IUPAC name of 1-bromo-6-ethoxynaphthalene (CID 151004603) is 1-bromo-6-ethoxynaphthalene.
What is the SMILES notation for 1-bromo-6-ethoxynaphthalene?
The canonical SMILES for 1-bromo-6-ethoxynaphthalene is CCOc1ccc2c(Br)cccc2c1.
What is the InChIKey of 1-bromo-6-ethoxynaphthalene?
The InChIKey is LUVAVHOEWPFNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrO/c1-2-14-10-6-7-11-9(8-10)4-3-5-12(11)13/h3-8H,2H2,1H3.
What are the key properties of 1-bromo-6-ethoxynaphthalene?
1-bromo-6-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 1-bromo-6-ethoxynaphthalene is sourced from PubChem (CID 151004603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).