1-chloronaphthalene

C10H7Cl — CID 7003

IUPAC1-chloronaphthalene
SMILESClc1cccc2ccccc12
InChIInChI=1S/C10H7Cl/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChIKeyJTPNRXUCIXHOKM-UHFFFAOYSA-N
MW162.62 g/mol
LogP3.49
Rot. Bonds

About 1-chloronaphthalene

1-chloronaphthalene (PubChem CID 7003) has the molecular formula C10H7Cl and a molecular weight of 162.62 g/mol. Its IUPAC name is 1-chloronaphthalene.

Molecular Properties

Compound Name1-chloronaphthalene
PubChem CID7003
Molecular FormulaC10H7Cl
Molecular Weight162.62 g/mol
Exact Mass162.02
IUPAC Name1-chloronaphthalene
SMILESClc1cccc2ccccc12
InChIInChI=1S/C10H7Cl/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChIKeyJTPNRXUCIXHOKM-UHFFFAOYSA-N
XLogP3.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.62
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-Chlorobiphenyl
CID 249266
2,2',5,5'-Tetrachlorobiphenyl
CID 37248
2,2',5-Trichlorobiphenyl
CID 37803
3-Chlorobiphenyl
CID 16322
1,2,3,4-Tetrachloronaphthalene
CID 29910
3,3'-Dichlorobiphenyl
CID 16307
2,2'-Dichlorobiphenyl
CID 25622
2-Chloronaphthalene
CID 7056
Pentachloronaphthalene
CID 114878
Trichloronaphthalene
CID 524223
2,5-Dichlorobiphenyl
CID 36980
Pcb 31
CID 27960

Frequently Asked Questions

What is the IUPAC name of 1-chloronaphthalene?
The IUPAC name of 1-chloronaphthalene (CID 7003) is 1-chloronaphthalene.
What is the SMILES notation for 1-chloronaphthalene?
The canonical SMILES for 1-chloronaphthalene is Clc1cccc2ccccc12.
What is the InChIKey of 1-chloronaphthalene?
The InChIKey is JTPNRXUCIXHOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H.
What are the key properties of 1-chloronaphthalene?
1-chloronaphthalene has a molecular weight of 162.62 g/mol, XLogP of 3.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloronaphthalene is sourced from PubChem (CID 7003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).