1-(3-chloropentyl)naphthalene

C15H17Cl — CID 63460195

IUPAC1-(3-chloropentyl)naphthalene
SMILESCCC(Cl)CCc1cccc2ccccc12
InChIInChI=1S/C15H17Cl/c1-2-14(16)11-10-13-8-5-7-12-6-3-4-9-15(12)13/h3-9,14H,2,10-11H2,1H3
InChIKeyYCWBETBYDIQOEE-UHFFFAOYSA-N
MW232.75 g/mol
LogP4.79
Rot. Bonds4

About 1-(3-chloropentyl)naphthalene

1-(3-chloropentyl)naphthalene (PubChem CID 63460195) has the molecular formula C15H17Cl and a molecular weight of 232.75 g/mol. Its IUPAC name is 1-(3-chloropentyl)naphthalene.

Molecular Properties

Compound Name1-(3-chloropentyl)naphthalene
PubChem CID63460195
Molecular FormulaC15H17Cl
Molecular Weight232.75 g/mol
Exact Mass232.10
IUPAC Name1-(3-chloropentyl)naphthalene
SMILESCCC(Cl)CCc1cccc2ccccc12
InChIInChI=1S/C15H17Cl/c1-2-14(16)11-10-13-8-5-7-12-6-3-4-9-15(12)13/h3-9,14H,2,10-11H2,1H3
InChIKeyYCWBETBYDIQOEE-UHFFFAOYSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.75
LogP ≤ 54.79
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-chlorohexyl)naphthalene
CID 63461105
1-(3,3-dichloropropyl)naphthalene
CID 54458566
1-naphthalen-1-ylpentan-3-ol
CID 2793924
(2S)-4-naphthalen-1-ylbutan-2-amine
CID 93315345
7-(3-chloropentyl)-1-benzothiophene
CID 81147007
1-(2-chloropropyl)naphthalene
CID 12809422
4-methyl-1-naphthalen-1-ylpentan-3-amine
CID 43370560
3-naphthalen-1-yl-1-phenylpropan-1-amine
CID 43370421
1-(2-chloro-4-methylhexyl)naphthalene
CID 114876690
methanamine;1-propylnaphthalene
CID 174438724
1-(3-naphthalen-2-ylbutyl)naphthalene
CID 173247348
1,5-bis(3-methylpentyl)naphthalene
CID 18760982

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloropentyl)naphthalene?
The IUPAC name of 1-(3-chloropentyl)naphthalene (CID 63460195) is 1-(3-chloropentyl)naphthalene.
What is the SMILES notation for 1-(3-chloropentyl)naphthalene?
The canonical SMILES for 1-(3-chloropentyl)naphthalene is CCC(Cl)CCc1cccc2ccccc12.
What is the InChIKey of 1-(3-chloropentyl)naphthalene?
The InChIKey is YCWBETBYDIQOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl/c1-2-14(16)11-10-13-8-5-7-12-6-3-4-9-15(12)13/h3-9,14H,2,10-11H2,1H3.
What are the key properties of 1-(3-chloropentyl)naphthalene?
1-(3-chloropentyl)naphthalene has a molecular weight of 232.75 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloropentyl)naphthalene is sourced from PubChem (CID 63460195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).