2-[(E)-3-chloroprop-1-enyl]naphthalene

C13H11Cl — CID 12965767

IUPAC2-[(E)-3-chloroprop-1-enyl]naphthalene
SMILESClC/C=C/c1ccc2ccccc2c1
InChIInChI=1S/C13H11Cl/c14-9-3-4-11-7-8-12-5-1-2-6-13(12)10-11/h1-8,10H,9H2/b4-3+
InChIKeyPCYACLNKJIOBMS-ONEGZZNKSA-N
MW202.68 g/mol
LogP4.09
Rot. Bonds2

About 2-[(E)-3-chloroprop-1-enyl]naphthalene

2-[(E)-3-chloroprop-1-enyl]naphthalene (PubChem CID 12965767) has the molecular formula C13H11Cl and a molecular weight of 202.68 g/mol. Its IUPAC name is 2-[(E)-3-chloroprop-1-enyl]naphthalene.

Molecular Properties

Compound Name2-[(E)-3-chloroprop-1-enyl]naphthalene
PubChem CID12965767
Molecular FormulaC13H11Cl
Molecular Weight202.68 g/mol
Exact Mass202.05
IUPAC Name2-[(E)-3-chloroprop-1-enyl]naphthalene
SMILESClC/C=C/c1ccc2ccccc2c1
InChIInChI=1S/C13H11Cl/c14-9-3-4-11-7-8-12-5-1-2-6-13(12)10-11/h1-8,10H,9H2/b4-3+
InChIKeyPCYACLNKJIOBMS-ONEGZZNKSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.68
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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2-[(E)-docos-1-enyl]naphthalene
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2-[(E)-dodec-1-enyl]naphthalene
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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-chloroprop-1-enyl]naphthalene?
The IUPAC name of 2-[(E)-3-chloroprop-1-enyl]naphthalene (CID 12965767) is 2-[(E)-3-chloroprop-1-enyl]naphthalene.
What is the SMILES notation for 2-[(E)-3-chloroprop-1-enyl]naphthalene?
The canonical SMILES for 2-[(E)-3-chloroprop-1-enyl]naphthalene is ClC/C=C/c1ccc2ccccc2c1.
What is the InChIKey of 2-[(E)-3-chloroprop-1-enyl]naphthalene?
The InChIKey is PCYACLNKJIOBMS-ONEGZZNKSA-N. The full InChI is InChI=1S/C13H11Cl/c14-9-3-4-11-7-8-12-5-1-2-6-13(12)10-11/h1-8,10H,9H2/b4-3+.
What are the key properties of 2-[(E)-3-chloroprop-1-enyl]naphthalene?
2-[(E)-3-chloroprop-1-enyl]naphthalene has a molecular weight of 202.68 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-chloroprop-1-enyl]naphthalene is sourced from PubChem (CID 12965767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).