4-bromo-6-[2-(5-bromo-2-chloro-3-ethoxyphenyl)ethenyl]-1-chloronaphthalene

C20H14Br2Cl2O — CID 139271069

IUPAC4-bromo-6-[2-(5-bromo-2-chloro-3-ethoxyphenyl)ethenyl]-1-chloronaphthalene
SMILESCCOc1cc(Br)cc(C=Cc2ccc3c(Cl)ccc(Br)c3c2)c1Cl
InChIInChI=1S/C20H14Br2Cl2O/c1-2-25-19-11-14(21)10-13(20(19)24)5-3-12-4-6-15-16(9-12)17(22)7-8-18(15)23/h3-11H,2H2,1H3
InChIKeySMJRMBNFPYAGLW-UHFFFAOYSA-N
MW501.05 g/mol
LogP8.24
Rot. Bonds4

About 4-bromo-6-[2-(5-bromo-2-chloro-3-ethoxyphenyl)ethenyl]-1-chloronaphthalene

4-bromo-6-[2-(5-bromo-2-chloro-3-ethoxyphenyl)ethenyl]-1-chloronaphthalene (PubChem CID 139271069) has the molecular formula C20H14Br2Cl2O and a molecular weight of 501.05 g/mol. Its IUPAC name is 4-bromo-6-[2-(5-bromo-2-chloro-3-ethoxyphenyl)ethenyl]-1-chloronaphthalene.

Molecular Properties

Compound Name4-bromo-6-[2-(5-bromo-2-chloro-3-ethoxyphenyl)ethenyl]-1-chloronaphthalene
PubChem CID139271069
Molecular FormulaC20H14Br2Cl2O
Molecular Weight501.05 g/mol
Exact Mass497.88
IUPAC Name4-bromo-6-[2-(5-bromo-2-chloro-3-ethoxyphenyl)ethenyl]-1-chloronaphthalene
SMILESCCOc1cc(Br)cc(C=Cc2ccc3c(Cl)ccc(Br)c3c2)c1Cl
InChIInChI=1S/C20H14Br2Cl2O/c1-2-25-19-11-14(21)10-13(20(19)24)5-3-12-4-6-15-16(9-12)17(22)7-8-18(15)23/h3-11H,2H2,1H3
InChIKeySMJRMBNFPYAGLW-UHFFFAOYSA-N
XLogP8.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.05
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 171000252
5-bromo-2,3-diethoxybenzaldehyde
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CID 123483521
5-bromo-1-chloro-2-ethoxy-3-propoxybenzene
CID 125116272
5-bromo-2-ethoxy-3-methoxybenzaldehyde
CID 20994235
1-bromo-2-chloro-4-ethoxy-3-methylbenzene
CID 146035250
2-bromo-4-chloro-7-ethoxy-1-benzothiophene
CID 131080410
(E)-3-(3-chloro-4-ethoxyphenyl)prop-2-en-1-amine
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3-(3-chloro-4-ethoxyphenyl)prop-2-en-1-ol
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6-bromo-2-chloro-3-ethoxyaniline
CID 118418845
6-bromo-2-[(E)-2-(4-chloro-3-propoxyphenyl)ethenyl]-1H-indole;ethane;propane
CID 145305138
ethyl 4-(5-bromo-2-chlorophenyl)but-3-enoate
CID 170797174

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-[2-(5-bromo-2-chloro-3-ethoxyphenyl)ethenyl]-1-chloronaphthalene?
The IUPAC name of 4-bromo-6-[2-(5-bromo-2-chloro-3-ethoxyphenyl)ethenyl]-1-chloronaphthalene (CID 139271069) is 4-bromo-6-[2-(5-bromo-2-chloro-3-ethoxyphenyl)ethenyl]-1-chloronaphthalene.
What is the SMILES notation for 4-bromo-6-[2-(5-bromo-2-chloro-3-ethoxyphenyl)ethenyl]-1-chloronaphthalene?
The canonical SMILES for 4-bromo-6-[2-(5-bromo-2-chloro-3-ethoxyphenyl)ethenyl]-1-chloronaphthalene is CCOc1cc(Br)cc(C=Cc2ccc3c(Cl)ccc(Br)c3c2)c1Cl.
What is the InChIKey of 4-bromo-6-[2-(5-bromo-2-chloro-3-ethoxyphenyl)ethenyl]-1-chloronaphthalene?
The InChIKey is SMJRMBNFPYAGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Br2Cl2O/c1-2-25-19-11-14(21)10-13(20(19)24)5-3-12-4-6-15-16(9-12)17(22)7-8-18(15)23/h3-11H,2H2,1H3.
What are the key properties of 4-bromo-6-[2-(5-bromo-2-chloro-3-ethoxyphenyl)ethenyl]-1-chloronaphthalene?
4-bromo-6-[2-(5-bromo-2-chloro-3-ethoxyphenyl)ethenyl]-1-chloronaphthalene has a molecular weight of 501.05 g/mol, XLogP of 8.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-[2-(5-bromo-2-chloro-3-ethoxyphenyl)ethenyl]-1-chloronaphthalene is sourced from PubChem (CID 139271069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).