3-bromo-1-chloro-2-[(E)-2-phenylethenyl]naphthalene

C18H12BrCl — CID 102300284

IUPAC3-bromo-1-chloro-2-[(E)-2-phenylethenyl]naphthalene
SMILESClc1c(/C=C/c2ccccc2)c(Br)cc2ccccc12
InChIInChI=1S/C18H12BrCl/c19-17-12-14-8-4-5-9-15(14)18(20)16(17)11-10-13-6-2-1-3-7-13/h1-12H/b11-10+
InChIKeyBAAOOFKKXXJVCW-ZHACJKMWSA-N
MW343.65 g/mol
LogP6.43
Rot. Bonds2

About 3-bromo-1-chloro-2-[(E)-2-phenylethenyl]naphthalene

3-bromo-1-chloro-2-[(E)-2-phenylethenyl]naphthalene (PubChem CID 102300284) has the molecular formula C18H12BrCl and a molecular weight of 343.65 g/mol. Its IUPAC name is 3-bromo-1-chloro-2-[(E)-2-phenylethenyl]naphthalene.

Molecular Properties

Compound Name3-bromo-1-chloro-2-[(E)-2-phenylethenyl]naphthalene
PubChem CID102300284
Molecular FormulaC18H12BrCl
Molecular Weight343.65 g/mol
Exact Mass341.98
IUPAC Name3-bromo-1-chloro-2-[(E)-2-phenylethenyl]naphthalene
SMILESClc1c(/C=C/c2ccccc2)c(Br)cc2ccccc12
InChIInChI=1S/C18H12BrCl/c19-17-12-14-8-4-5-9-15(14)18(20)16(17)11-10-13-6-2-1-3-7-13/h1-12H/b11-10+
InChIKeyBAAOOFKKXXJVCW-ZHACJKMWSA-N
XLogP6.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.65
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-Bromophenanthrene
CID 11309
1-Bromo-8-chloronaphthalene
CID 20331999
10-Bromo-1,8-dichloroanthracene
CID 15939690
1-Bromo-5-chloro-naphthalene
CID 299007
1-Bromo-2-(4-chloro-2-fluorophenyl)naphthalene
CID 154709386
9-Bromo-10-ethylanthracene
CID 4528206
9-Bromo-10-chloroanthracene
CID 14790560
4-Bromo-1-chloro-2-(trifluoromethyl)naphthalene
CID 84820277
1-bromo-2-[(Z)-2-[4-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]-2,3-difluorophenyl]ethenyl]naphthalene
CID 167713767
1-Chloro-5-bromo-9,10-dihydro-9,10-ethanoanthracene
CID 73812808
2-Bromo-3-phenylnaphthalene
CID 12076891
2-Bromo-3-(4-chlorophenyl)naphthalene
CID 134947736

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-chloro-2-[(E)-2-phenylethenyl]naphthalene?
The IUPAC name of 3-bromo-1-chloro-2-[(E)-2-phenylethenyl]naphthalene (CID 102300284) is 3-bromo-1-chloro-2-[(E)-2-phenylethenyl]naphthalene.
What is the SMILES notation for 3-bromo-1-chloro-2-[(E)-2-phenylethenyl]naphthalene?
The canonical SMILES for 3-bromo-1-chloro-2-[(E)-2-phenylethenyl]naphthalene is Clc1c(/C=C/c2ccccc2)c(Br)cc2ccccc12.
What is the InChIKey of 3-bromo-1-chloro-2-[(E)-2-phenylethenyl]naphthalene?
The InChIKey is BAAOOFKKXXJVCW-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H12BrCl/c19-17-12-14-8-4-5-9-15(14)18(20)16(17)11-10-13-6-2-1-3-7-13/h1-12H/b11-10+.
What are the key properties of 3-bromo-1-chloro-2-[(E)-2-phenylethenyl]naphthalene?
3-bromo-1-chloro-2-[(E)-2-phenylethenyl]naphthalene has a molecular weight of 343.65 g/mol, XLogP of 6.43, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-chloro-2-[(E)-2-phenylethenyl]naphthalene is sourced from PubChem (CID 102300284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).