1-(3,3-dichloropropyl)naphthalene

C13H12Cl2 — CID 54458566

IUPAC1-(3,3-dichloropropyl)naphthalene
SMILESClC(Cl)CCc1cccc2ccccc12
InChIInChI=1S/C13H12Cl2/c14-13(15)9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,13H,8-9H2
InChIKeyWZYPVEUASSKKTG-UHFFFAOYSA-N
MW239.15 g/mol
LogP4.58
Rot. Bonds3

About 1-(3,3-dichloropropyl)naphthalene

1-(3,3-dichloropropyl)naphthalene (PubChem CID 54458566) has the molecular formula C13H12Cl2 and a molecular weight of 239.15 g/mol. Its IUPAC name is 1-(3,3-dichloropropyl)naphthalene.

Molecular Properties

Compound Name1-(3,3-dichloropropyl)naphthalene
PubChem CID54458566
Molecular FormulaC13H12Cl2
Molecular Weight239.15 g/mol
Exact Mass238.03
IUPAC Name1-(3,3-dichloropropyl)naphthalene
SMILESClC(Cl)CCc1cccc2ccccc12
InChIInChI=1S/C13H12Cl2/c14-13(15)9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,13H,8-9H2
InChIKeyWZYPVEUASSKKTG-UHFFFAOYSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.15
LogP ≤ 54.58
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

1-(3-chloropentyl)naphthalene
CID 63460195
1-(3-chlorohexyl)naphthalene
CID 63461105
(2S)-4-naphthalen-1-ylbutan-2-amine
CID 93315345
1-naphthalen-1-ylpentan-3-ol
CID 2793924
3-naphthalen-1-yl-1-phenylpropan-1-amine
CID 43370421
4-methyl-1-naphthalen-1-ylpentan-3-amine
CID 43370560
1-[2-(2-chlorophenyl)ethyl]naphthalene
CID 20686215
1-(2-chloropropyl)naphthalene
CID 12809422
3-(3,3-dichloropropyl)benzene-1,2-diol
CID 154435171
1-chloro-2-naphthalen-1-ylethanol
CID 54087449
4-naphthalen-1-yl-2-phenylbutan-1-amine
CID 81011301
1-anthracen-9-yl-3-naphthalen-1-ylpropan-1-ol
CID 10498878

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dichloropropyl)naphthalene?
The IUPAC name of 1-(3,3-dichloropropyl)naphthalene (CID 54458566) is 1-(3,3-dichloropropyl)naphthalene.
What is the SMILES notation for 1-(3,3-dichloropropyl)naphthalene?
The canonical SMILES for 1-(3,3-dichloropropyl)naphthalene is ClC(Cl)CCc1cccc2ccccc12.
What is the InChIKey of 1-(3,3-dichloropropyl)naphthalene?
The InChIKey is WZYPVEUASSKKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2/c14-13(15)9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,13H,8-9H2.
What are the key properties of 1-(3,3-dichloropropyl)naphthalene?
1-(3,3-dichloropropyl)naphthalene has a molecular weight of 239.15 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dichloropropyl)naphthalene is sourced from PubChem (CID 54458566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).