1-[1-chloro-2-(3-chlorophenyl)ethyl]-2-methylnaphthalene

C19H16Cl2 — CID 81430010

IUPAC1-[1-chloro-2-(3-chlorophenyl)ethyl]-2-methylnaphthalene
SMILESCc1ccc2ccccc2c1C(Cl)Cc1cccc(Cl)c1
InChIInChI=1S/C19H16Cl2/c1-13-9-10-15-6-2-3-8-17(15)19(13)18(21)12-14-5-4-7-16(20)11-14/h2-11,18H,12H2,1H3
InChIKeyLRISSBZOSMCHHL-UHFFFAOYSA-N
MW315.24 g/mol
LogP6.32
Rot. Bonds3

About 1-[1-chloro-2-(3-chlorophenyl)ethyl]-2-methylnaphthalene

1-[1-chloro-2-(3-chlorophenyl)ethyl]-2-methylnaphthalene (PubChem CID 81430010) has the molecular formula C19H16Cl2 and a molecular weight of 315.24 g/mol. Its IUPAC name is 1-[1-chloro-2-(3-chlorophenyl)ethyl]-2-methylnaphthalene.

Molecular Properties

Compound Name1-[1-chloro-2-(3-chlorophenyl)ethyl]-2-methylnaphthalene
PubChem CID81430010
Molecular FormulaC19H16Cl2
Molecular Weight315.24 g/mol
Exact Mass314.06
IUPAC Name1-[1-chloro-2-(3-chlorophenyl)ethyl]-2-methylnaphthalene
SMILESCc1ccc2ccccc2c1C(Cl)Cc1cccc(Cl)c1
InChIInChI=1S/C19H16Cl2/c1-13-9-10-15-6-2-3-8-17(15)19(13)18(21)12-14-5-4-7-16(20)11-14/h2-11,18H,12H2,1H3
InChIKeyLRISSBZOSMCHHL-UHFFFAOYSA-N
XLogP6.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.24
LogP ≤ 56.32
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-(3-chlorophenyl)-1-(2-methylnaphthalen-1-yl)ethanol
CID 81430142
1-chloro-3-(2-chloro-2-phenylethyl)benzene
CID 4737542
1-[chloro-(2,4-dichlorophenyl)methyl]-2-methylnaphthalene
CID 81430002
1-[chloro-(2,5-dichlorophenyl)methyl]-2-methylnaphthalene
CID 81429992
1-[bromo-(5-chloro-2-methylphenyl)methyl]-2-methylnaphthalene
CID 82874592
ethane;2-methyl-1-propan-2-ylnaphthalene
CID 144871891
1-[1-bromo-2-(3-chlorophenyl)ethyl]naphthalene
CID 63530424
(3,5-dichlorophenyl)-(2-methylnaphthalen-1-yl)methanamine
CID 81430120
1-(3-chlorophenyl)-3-naphthalen-1-ylpropan-2-ol
CID 62608540
4-chloro-2-[1-chloro-2-(3-methylphenyl)ethyl]-1-methylbenzene
CID 82890883
2-bromo-5-[1-chloro-2-(3-chlorophenyl)ethyl]-3-methylthiophene
CID 79997119
1-(3-chlorophenyl)-3-naphthalen-2-ylpropan-2-ol
CID 105076762

Frequently Asked Questions

What is the IUPAC name of 1-[1-chloro-2-(3-chlorophenyl)ethyl]-2-methylnaphthalene?
The IUPAC name of 1-[1-chloro-2-(3-chlorophenyl)ethyl]-2-methylnaphthalene (CID 81430010) is 1-[1-chloro-2-(3-chlorophenyl)ethyl]-2-methylnaphthalene.
What is the SMILES notation for 1-[1-chloro-2-(3-chlorophenyl)ethyl]-2-methylnaphthalene?
The canonical SMILES for 1-[1-chloro-2-(3-chlorophenyl)ethyl]-2-methylnaphthalene is Cc1ccc2ccccc2c1C(Cl)Cc1cccc(Cl)c1.
What is the InChIKey of 1-[1-chloro-2-(3-chlorophenyl)ethyl]-2-methylnaphthalene?
The InChIKey is LRISSBZOSMCHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2/c1-13-9-10-15-6-2-3-8-17(15)19(13)18(21)12-14-5-4-7-16(20)11-14/h2-11,18H,12H2,1H3.
What are the key properties of 1-[1-chloro-2-(3-chlorophenyl)ethyl]-2-methylnaphthalene?
1-[1-chloro-2-(3-chlorophenyl)ethyl]-2-methylnaphthalene has a molecular weight of 315.24 g/mol, XLogP of 6.32, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-chloro-2-(3-chlorophenyl)ethyl]-2-methylnaphthalene is sourced from PubChem (CID 81430010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).