1-(chloromethyl)naphthalene

C11H9Cl — CID 6845

IUPAC1-(chloromethyl)naphthalene
SMILESClCc1cccc2ccccc12
InChIInChI=1S/C11H9Cl/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2
InChIKeyXMWGTKZEDLCVIG-UHFFFAOYSA-N
MW176.65 g/mol
LogP3.58
Rot. Bonds1

About 1-(chloromethyl)naphthalene

1-(chloromethyl)naphthalene (PubChem CID 6845) has the molecular formula C11H9Cl and a molecular weight of 176.65 g/mol. Its IUPAC name is 1-(chloromethyl)naphthalene.

Molecular Properties

Compound Name1-(chloromethyl)naphthalene
PubChem CID6845
Molecular FormulaC11H9Cl
Molecular Weight176.65 g/mol
Exact Mass176.04
IUPAC Name1-(chloromethyl)naphthalene
SMILESClCc1cccc2ccccc12
InChIInChI=1S/C11H9Cl/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2
InChIKeyXMWGTKZEDLCVIG-UHFFFAOYSA-N
XLogP3.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.65
LogP ≤ 53.58
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

Naphthalene
CID 931
1-Methylnaphthalene
CID 7002
Acenaphthylene
CID 9161
2-Methylnaphthalene
CID 7055
2,6-Dimethylnaphthalene
CID 11387
1,6-Dimethylnaphthalene
CID 11328
1,4-Dimethylnaphthalene
CID 11304
1,2-Dimethylnaphthalene
CID 11317
1,7-Dimethylnaphthalene
CID 11326
2-Isopropylnaphthalene
CID 16238
9-(Chloromethyl)anthracene
CID 32385
alpha-Chloro-o-xylene
CID 11093

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)naphthalene?
The IUPAC name of 1-(chloromethyl)naphthalene (CID 6845) is 1-(chloromethyl)naphthalene.
What is the SMILES notation for 1-(chloromethyl)naphthalene?
The canonical SMILES for 1-(chloromethyl)naphthalene is ClCc1cccc2ccccc12.
What is the InChIKey of 1-(chloromethyl)naphthalene?
The InChIKey is XMWGTKZEDLCVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2.
What are the key properties of 1-(chloromethyl)naphthalene?
1-(chloromethyl)naphthalene has a molecular weight of 176.65 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)naphthalene is sourced from PubChem (CID 6845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).