1-[2-(4-chlorophenyl)ethenyl]naphthalene

C18H13Cl — CID 85443671

IUPAC1-[2-(4-chlorophenyl)ethenyl]naphthalene
SMILESClc1ccc(C=Cc2cccc3ccccc23)cc1
InChIInChI=1S/C18H13Cl/c19-17-12-9-14(10-13-17)8-11-16-6-3-5-15-4-1-2-7-18(15)16/h1-13H
InChIKeyAGVJKSMNGYULPC-UHFFFAOYSA-N
MW264.75 g/mol
LogP5.66
Rot. Bonds2

About 1-[2-(4-chlorophenyl)ethenyl]naphthalene

1-[2-(4-chlorophenyl)ethenyl]naphthalene (PubChem CID 85443671) has the molecular formula C18H13Cl and a molecular weight of 264.75 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethenyl]naphthalene.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethenyl]naphthalene
PubChem CID85443671
Molecular FormulaC18H13Cl
Molecular Weight264.75 g/mol
Exact Mass264.07
IUPAC Name1-[2-(4-chlorophenyl)ethenyl]naphthalene
SMILESClc1ccc(C=Cc2cccc3ccccc23)cc1
InChIInChI=1S/C18H13Cl/c19-17-12-9-14(10-13-17)8-11-16-6-3-5-15-4-1-2-7-18(15)16/h1-13H
InChIKeyAGVJKSMNGYULPC-UHFFFAOYSA-N
XLogP5.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.75
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethenyl]naphthalene?
The IUPAC name of 1-[2-(4-chlorophenyl)ethenyl]naphthalene (CID 85443671) is 1-[2-(4-chlorophenyl)ethenyl]naphthalene.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethenyl]naphthalene?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethenyl]naphthalene is Clc1ccc(C=Cc2cccc3ccccc23)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethenyl]naphthalene?
The InChIKey is AGVJKSMNGYULPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl/c19-17-12-9-14(10-13-17)8-11-16-6-3-5-15-4-1-2-7-18(15)16/h1-13H.
What are the key properties of 1-[2-(4-chlorophenyl)ethenyl]naphthalene?
1-[2-(4-chlorophenyl)ethenyl]naphthalene has a molecular weight of 264.75 g/mol, XLogP of 5.66, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethenyl]naphthalene is sourced from PubChem (CID 85443671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).