1-(2,2-dibromoethenyl)-4-methoxynaphthalene

C13H10Br2O — CID 154991789

IUPAC1-(2,2-dibromoethenyl)-4-methoxynaphthalene
SMILESCOc1ccc(C=C(Br)Br)c2ccccc12
InChIInChI=1S/C13H10Br2O/c1-16-12-7-6-9(8-13(14)15)10-4-2-3-5-11(10)12/h2-8H,1H3
InChIKeyWLGIYMJCLXUEET-UHFFFAOYSA-N
MW342.03 g/mol
LogP4.94
Rot. Bonds2

About 1-(2,2-dibromoethenyl)-4-methoxynaphthalene

1-(2,2-dibromoethenyl)-4-methoxynaphthalene (PubChem CID 154991789) has the molecular formula C13H10Br2O and a molecular weight of 342.03 g/mol. Its IUPAC name is 1-(2,2-dibromoethenyl)-4-methoxynaphthalene.

Molecular Properties

Compound Name1-(2,2-dibromoethenyl)-4-methoxynaphthalene
PubChem CID154991789
Molecular FormulaC13H10Br2O
Molecular Weight342.03 g/mol
Exact Mass339.91
IUPAC Name1-(2,2-dibromoethenyl)-4-methoxynaphthalene
SMILESCOc1ccc(C=C(Br)Br)c2ccccc12
InChIInChI=1S/C13H10Br2O/c1-16-12-7-6-9(8-13(14)15)10-4-2-3-5-11(10)12/h2-8H,1H3
InChIKeyWLGIYMJCLXUEET-UHFFFAOYSA-N
XLogP4.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.03
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,2-diphenylethenyl)-2,3,4-trimethoxybenzene
CID 71322184
5-[(4-methoxynaphthalen-1-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 2299862
1-methoxy-4-[2-(4-methoxyphenyl)ethenyl]naphthalene
CID 5092945
1-bromo-4-methoxynaphthalene;ethane
CID 143974048
3-methyl-4-(2,3,4-trimethoxyphenyl)but-3-en-2-one
CID 73015707
(3E)-3-[(4-methoxynaphthalen-1-yl)methylidene]pyrrolidine-2,5-dione
CID 71193014
(Z)-2-cyano-N-(2,6-dimethylphenyl)-3-(4-methoxynaphthalen-1-yl)prop-2-enamide
CID 124925153
methyl 2-methyl-3-(2,3,4-trimethoxyphenyl)prop-2-enoate
CID 73071521
1-methoxy-4-[4-(4-methoxynaphthalen-1-yl)oxyphenoxy]naphthalene
CID 146547657
1-chloro-4-methoxynaphthalene
CID 606038
1,4-dimethoxybenzo[7]annulen-7-one
CID 11042148
5-[(4-methoxynaphthalen-1-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2864374

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dibromoethenyl)-4-methoxynaphthalene?
The IUPAC name of 1-(2,2-dibromoethenyl)-4-methoxynaphthalene (CID 154991789) is 1-(2,2-dibromoethenyl)-4-methoxynaphthalene.
What is the SMILES notation for 1-(2,2-dibromoethenyl)-4-methoxynaphthalene?
The canonical SMILES for 1-(2,2-dibromoethenyl)-4-methoxynaphthalene is COc1ccc(C=C(Br)Br)c2ccccc12.
What is the InChIKey of 1-(2,2-dibromoethenyl)-4-methoxynaphthalene?
The InChIKey is WLGIYMJCLXUEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2O/c1-16-12-7-6-9(8-13(14)15)10-4-2-3-5-11(10)12/h2-8H,1H3.
What are the key properties of 1-(2,2-dibromoethenyl)-4-methoxynaphthalene?
1-(2,2-dibromoethenyl)-4-methoxynaphthalene has a molecular weight of 342.03 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dibromoethenyl)-4-methoxynaphthalene is sourced from PubChem (CID 154991789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).