2-[1-chloro-2-(2-chlorophenyl)ethyl]naphthalene

C18H14Cl2 — CID 63520023

IUPAC2-[1-chloro-2-(2-chlorophenyl)ethyl]naphthalene
SMILESClc1ccccc1CC(Cl)c1ccc2ccccc2c1
InChIInChI=1S/C18H14Cl2/c19-17-8-4-3-7-15(17)12-18(20)16-10-9-13-5-1-2-6-14(13)11-16/h1-11,18H,12H2
InChIKeyVWRJOARUJARAPI-UHFFFAOYSA-N
MW301.22 g/mol
LogP6.02
Rot. Bonds3

About 2-[1-chloro-2-(2-chlorophenyl)ethyl]naphthalene

2-[1-chloro-2-(2-chlorophenyl)ethyl]naphthalene (PubChem CID 63520023) has the molecular formula C18H14Cl2 and a molecular weight of 301.22 g/mol. Its IUPAC name is 2-[1-chloro-2-(2-chlorophenyl)ethyl]naphthalene.

Molecular Properties

Compound Name2-[1-chloro-2-(2-chlorophenyl)ethyl]naphthalene
PubChem CID63520023
Molecular FormulaC18H14Cl2
Molecular Weight301.22 g/mol
Exact Mass300.05
IUPAC Name2-[1-chloro-2-(2-chlorophenyl)ethyl]naphthalene
SMILESClc1ccccc1CC(Cl)c1ccc2ccccc2c1
InChIInChI=1S/C18H14Cl2/c19-17-8-4-3-7-15(17)12-18(20)16-10-9-13-5-1-2-6-14(13)11-16/h1-11,18H,12H2
InChIKeyVWRJOARUJARAPI-UHFFFAOYSA-N
XLogP6.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.22
LogP ≤ 56.02
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

2-(2-chlorophenyl)-1-naphthalen-2-ylethanol
CID 62715892
1-bromo-2-chloro-4-[1-chloro-2-(2-chlorophenyl)ethyl]benzene
CID 81307607
1-[1-chloro-2-(2-chlorophenyl)ethyl]-3,5-dimethoxybenzene
CID 63519326
2-[1-chloro-2-(2-chlorophenyl)ethyl]-1-benzothiophene
CID 63519147
5-[1-chloro-2-(2-chlorophenyl)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 61085374
2-bromo-6-[1-chloro-2-(2-fluorophenyl)ethyl]naphthalene
CID 115354476
1-[2-chloro-2-(3-chloro-4-methylphenyl)ethyl]naphthalene
CID 63518155
2-[1-chloro-2-(3-fluorophenyl)ethyl]naphthalene
CID 63542658
1-chloro-2-[2-chloro-2-[4-(2-methoxyethyl)phenyl]ethyl]benzene
CID 63429786
2-(2,5-dichlorophenyl)-1-naphthalen-2-ylethanol
CID 65317190
1-(2-chloro-2-naphthalen-2-ylethyl)piperidine
CID 82214628
5-[1-chloro-2-(2-chlorophenyl)ethyl]-2,3-dimethylthiophene
CID 65238571

Frequently Asked Questions

What is the IUPAC name of 2-[1-chloro-2-(2-chlorophenyl)ethyl]naphthalene?
The IUPAC name of 2-[1-chloro-2-(2-chlorophenyl)ethyl]naphthalene (CID 63520023) is 2-[1-chloro-2-(2-chlorophenyl)ethyl]naphthalene.
What is the SMILES notation for 2-[1-chloro-2-(2-chlorophenyl)ethyl]naphthalene?
The canonical SMILES for 2-[1-chloro-2-(2-chlorophenyl)ethyl]naphthalene is Clc1ccccc1CC(Cl)c1ccc2ccccc2c1.
What is the InChIKey of 2-[1-chloro-2-(2-chlorophenyl)ethyl]naphthalene?
The InChIKey is VWRJOARUJARAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2/c19-17-8-4-3-7-15(17)12-18(20)16-10-9-13-5-1-2-6-14(13)11-16/h1-11,18H,12H2.
What are the key properties of 2-[1-chloro-2-(2-chlorophenyl)ethyl]naphthalene?
2-[1-chloro-2-(2-chlorophenyl)ethyl]naphthalene has a molecular weight of 301.22 g/mol, XLogP of 6.02, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-chloro-2-(2-chlorophenyl)ethyl]naphthalene is sourced from PubChem (CID 63520023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).