1-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydronaphthalene

C16H14Cl2 — CID 17900569

IUPAC1-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalene
SMILESC1CC(C2=CC=CC=C2C1)C3=CC(=C(C=C3)Cl)Cl
InChIInChI=1S/C16H14Cl2/c17-15-9-8-12(10-16(15)18)14-7-3-5-11-4-1-2-6-13(11)14/h1-2,4,6,8-10,14H,3,5,7H2
InChIKeyPUKBOMXODMUDBW-UHFFFAOYSA-N
MW277.20 g/mol
LogP6.00
Rot. Bonds1

About 1-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydronaphthalene

1-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 17900569) has the molecular formula C16H14Cl2 and a molecular weight of 277.20 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydronaphthalene
PubChem CID17900569
Molecular FormulaC16H14Cl2
Molecular Weight277.20 g/mol
Exact Mass276.05
IUPAC Name1-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalene
SMILESC1CC(C2=CC=CC=C2C1)C3=CC(=C(C=C3)Cl)Cl
InChIInChI=1S/C16H14Cl2/c17-15-9-8-12(10-16(15)18)14-7-3-5-11-4-1-2-6-13(11)14/h1-2,4,6,8-10,14H,3,5,7H2
InChIKeyPUKBOMXODMUDBW-UHFFFAOYSA-N
XLogP6.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity278

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.20
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydronaphthalene (CID 17900569) is 1-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydronaphthalene is C1CC(C2=CC=CC=C2C1)C3=CC(=C(C=C3)Cl)Cl.
What is the InChIKey of 1-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is PUKBOMXODMUDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2/c17-15-9-8-12(10-16(15)18)14-7-3-5-11-4-1-2-6-13(11)14/h1-2,4,6,8-10,14H,3,5,7H2.
What are the key properties of 1-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydronaphthalene?
1-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 277.20 g/mol, XLogP of 6.00, 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)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 17900569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).