2-(2-chlorobutyl)naphthalene

C14H15Cl — CID 21490588

IUPAC2-(2-chlorobutyl)naphthalene
SMILESCCC(Cl)Cc1ccc2ccccc2c1
InChIInChI=1S/C14H15Cl/c1-2-14(15)10-11-7-8-12-5-3-4-6-13(12)9-11/h3-9,14H,2,10H2,1H3
InChIKeyFMOWCXKWPIAIMF-UHFFFAOYSA-N
MW218.73 g/mol
LogP4.40
Rot. Bonds3

About 2-(2-chlorobutyl)naphthalene

2-(2-chlorobutyl)naphthalene (PubChem CID 21490588) has the molecular formula C14H15Cl and a molecular weight of 218.73 g/mol. Its IUPAC name is 2-(2-chlorobutyl)naphthalene.

Molecular Properties

Compound Name2-(2-chlorobutyl)naphthalene
PubChem CID21490588
Molecular FormulaC14H15Cl
Molecular Weight218.73 g/mol
Exact Mass218.09
IUPAC Name2-(2-chlorobutyl)naphthalene
SMILESCCC(Cl)Cc1ccc2ccccc2c1
InChIInChI=1S/C14H15Cl/c1-2-14(15)10-11-7-8-12-5-3-4-6-13(12)9-11/h3-9,14H,2,10H2,1H3
InChIKeyFMOWCXKWPIAIMF-UHFFFAOYSA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.73
LogP ≤ 54.40
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

2-(2-propan-2-ylpentyl)naphthalene
CID 173217624
1-anthracen-2-ylbutan-2-ol
CID 141488114
2-[chloro-(4-propylphenyl)methyl]naphthalene
CID 63432067
2-(naphthalen-2-ylmethyl)butanoic acid
CID 77427365
2-[2-chloro-3-(1-methoxycyclobutyl)propyl]naphthalene
CID 103558104
ethane;2-ethylnaphthalene
CID 90684887
2-methyl-3-naphthalen-2-ylpropane-1,1-diol
CID 20647932
2-[2-(2-butan-2-ylphenyl)-3-methylbutyl]naphthalene
CID 19927018
2-bromobutane;2-(bromomethyl)naphthalene
CID 145476439
2-[2-chloro-2-(2-methylcyclopentyl)ethyl]naphthalene
CID 107183500
1-bromo-4-(2-chlorobutyl)benzene
CID 18417634
2-(naphthalen-2-ylmethyl)naphthalene
CID 14123480

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorobutyl)naphthalene?
The IUPAC name of 2-(2-chlorobutyl)naphthalene (CID 21490588) is 2-(2-chlorobutyl)naphthalene.
What is the SMILES notation for 2-(2-chlorobutyl)naphthalene?
The canonical SMILES for 2-(2-chlorobutyl)naphthalene is CCC(Cl)Cc1ccc2ccccc2c1.
What is the InChIKey of 2-(2-chlorobutyl)naphthalene?
The InChIKey is FMOWCXKWPIAIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl/c1-2-14(15)10-11-7-8-12-5-3-4-6-13(12)9-11/h3-9,14H,2,10H2,1H3.
What are the key properties of 2-(2-chlorobutyl)naphthalene?
2-(2-chlorobutyl)naphthalene has a molecular weight of 218.73 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorobutyl)naphthalene is sourced from PubChem (CID 21490588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).