(1S)-1-(3,4-dichlorophenyl)-1,2-dihydronaphthalene

C16H12Cl2 — CID 11414673

IUPAC(1S)-1-(3,4-dichlorophenyl)-1,2-dihydronaphthalene
SMILESClc1ccc([C@@H]2CC=Cc3ccccc32)cc1Cl
InChIInChI=1S/C16H12Cl2/c17-15-9-8-12(10-16(15)18)14-7-3-5-11-4-1-2-6-13(11)14/h1-6,8-10,14H,7H2/t14-/m0/s1
InChIKeyZLSPQUYRIXMVNQ-AWEZNQCLSA-N
MW275.18 g/mol
LogP5.54
Rot. Bonds1

About (1S)-1-(3,4-dichlorophenyl)-1,2-dihydronaphthalene

(1S)-1-(3,4-dichlorophenyl)-1,2-dihydronaphthalene (PubChem CID 11414673) has the molecular formula C16H12Cl2 and a molecular weight of 275.18 g/mol. Its IUPAC name is (1S)-1-(3,4-dichlorophenyl)-1,2-dihydronaphthalene.

Molecular Properties

Compound Name(1S)-1-(3,4-dichlorophenyl)-1,2-dihydronaphthalene
PubChem CID11414673
Molecular FormulaC16H12Cl2
Molecular Weight275.18 g/mol
Exact Mass274.03
IUPAC Name(1S)-1-(3,4-dichlorophenyl)-1,2-dihydronaphthalene
SMILESClc1ccc([C@@H]2CC=Cc3ccccc32)cc1Cl
InChIInChI=1S/C16H12Cl2/c17-15-9-8-12(10-16(15)18)14-7-3-5-11-4-1-2-6-13(11)14/h1-6,8-10,14H,7H2/t14-/m0/s1
InChIKeyZLSPQUYRIXMVNQ-AWEZNQCLSA-N
XLogP5.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.18
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3,4-dichlorophenyl)-1,2-dihydronaphthalene?
The IUPAC name of (1S)-1-(3,4-dichlorophenyl)-1,2-dihydronaphthalene (CID 11414673) is (1S)-1-(3,4-dichlorophenyl)-1,2-dihydronaphthalene.
What is the SMILES notation for (1S)-1-(3,4-dichlorophenyl)-1,2-dihydronaphthalene?
The canonical SMILES for (1S)-1-(3,4-dichlorophenyl)-1,2-dihydronaphthalene is Clc1ccc([C@@H]2CC=Cc3ccccc32)cc1Cl.
What is the InChIKey of (1S)-1-(3,4-dichlorophenyl)-1,2-dihydronaphthalene?
The InChIKey is ZLSPQUYRIXMVNQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H12Cl2/c17-15-9-8-12(10-16(15)18)14-7-3-5-11-4-1-2-6-13(11)14/h1-6,8-10,14H,7H2/t14-/m0/s1.
What are the key properties of (1S)-1-(3,4-dichlorophenyl)-1,2-dihydronaphthalene?
(1S)-1-(3,4-dichlorophenyl)-1,2-dihydronaphthalene has a molecular weight of 275.18 g/mol, XLogP of 5.54, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3,4-dichlorophenyl)-1,2-dihydronaphthalene is sourced from PubChem (CID 11414673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).