1-(3,4-dichlorophenyl)naphthalene

C16H10Cl2 — CID 90714709

IUPAC1-(3,4-dichlorophenyl)naphthalene
SMILESClc1ccc(-c2cccc3ccccc23)cc1Cl
InChIInChI=1S/C16H10Cl2/c17-15-9-8-12(10-16(15)18)14-7-3-5-11-4-1-2-6-13(11)14/h1-10H
InChIKeyXXZDWAQTCMYQNE-UHFFFAOYSA-N
MW273.16 g/mol
LogP5.81
Rot. Bonds1

About 1-(3,4-dichlorophenyl)naphthalene

1-(3,4-dichlorophenyl)naphthalene (PubChem CID 90714709) has the molecular formula C16H10Cl2 and a molecular weight of 273.16 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)naphthalene.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)naphthalene
PubChem CID90714709
Molecular FormulaC16H10Cl2
Molecular Weight273.16 g/mol
Exact Mass272.02
IUPAC Name1-(3,4-dichlorophenyl)naphthalene
SMILESClc1ccc(-c2cccc3ccccc23)cc1Cl
InChIInChI=1S/C16H10Cl2/c17-15-9-8-12(10-16(15)18)14-7-3-5-11-4-1-2-6-13(11)14/h1-10H
InChIKeyXXZDWAQTCMYQNE-UHFFFAOYSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.16
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-Chloronaphthalene
CID 7056
Trichloronaphthalene
CID 524223
3,4-Dichlorobiphenyl
CID 18102
3,3',4-Trichlorobiphenyl
CID 37806
3,4,4'-Trichlorobiphenyl
CID 38039
1,2-Dichloronaphthalene
CID 16309
2,7-Dichloronaphthalene
CID 16619
2-Chloroanthracene
CID 28308
9-Chloroanthracene
CID 69744
9,10-Dichloroanthracene
CID 11800
2,3-Dichloronaphthalene
CID 16312
1-Chloroanthracene
CID 39740

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)naphthalene?
The IUPAC name of 1-(3,4-dichlorophenyl)naphthalene (CID 90714709) is 1-(3,4-dichlorophenyl)naphthalene.
What is the SMILES notation for 1-(3,4-dichlorophenyl)naphthalene?
The canonical SMILES for 1-(3,4-dichlorophenyl)naphthalene is Clc1ccc(-c2cccc3ccccc23)cc1Cl.
What is the InChIKey of 1-(3,4-dichlorophenyl)naphthalene?
The InChIKey is XXZDWAQTCMYQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2/c17-15-9-8-12(10-16(15)18)14-7-3-5-11-4-1-2-6-13(11)14/h1-10H.
What are the key properties of 1-(3,4-dichlorophenyl)naphthalene?
1-(3,4-dichlorophenyl)naphthalene has a molecular weight of 273.16 g/mol, XLogP of 5.81, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)naphthalene is sourced from PubChem (CID 90714709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).