6-[chloro-(2,6-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene

C17H15Cl3 — CID 63431220

IUPAC6-[chloro-(2,6-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
SMILESClc1cccc(Cl)c1C(Cl)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H15Cl3/c18-14-6-3-7-15(19)16(14)17(20)13-9-8-11-4-1-2-5-12(11)10-13/h3,6-10,17H,1-2,4-5H2
InChIKeyOHGUVEFKALBKHR-UHFFFAOYSA-N
MW325.67 g/mol
LogP6.20
Rot. Bonds2

About 6-[chloro-(2,6-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene

6-[chloro-(2,6-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 63431220) has the molecular formula C17H15Cl3 and a molecular weight of 325.67 g/mol. Its IUPAC name is 6-[chloro-(2,6-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-[chloro-(2,6-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
PubChem CID63431220
Molecular FormulaC17H15Cl3
Molecular Weight325.67 g/mol
Exact Mass324.02
IUPAC Name6-[chloro-(2,6-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
SMILESClc1cccc(Cl)c1C(Cl)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H15Cl3/c18-14-6-3-7-15(19)16(14)17(20)13-9-8-11-4-1-2-5-12(11)10-13/h3,6-10,17H,1-2,4-5H2
InChIKeyOHGUVEFKALBKHR-UHFFFAOYSA-N
XLogP6.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.67
LogP ≤ 56.20
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

6-[chloro-(3,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63430631
6-[bromo-(2-chloro-6-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63439442
6-[chloro-(4-propan-2-ylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63431080
6-[chloro-(3-chloro-4-iodophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 103210512
6-[chloro-(2-chloro-3-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 81461136
5-[(4-bromophenyl)-chloromethyl]-2,3-dihydro-1H-indene
CID 63429122
5-[bromo-(2,3-dichlorophenyl)methyl]-2,3-dihydro-1H-indene
CID 63440400
6-[chloro-(2,6-dichlorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 63434010
3-[chloro(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]furan
CID 63431176
1-[(2-chloro-6-fluorophenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]imidazole
CID 70592444
5-[chloro-(2-fluoro-3-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 81477360
5-[chloro-(3,5-difluorophenyl)methyl]-2,3-dihydro-1H-indene
CID 55198708

Frequently Asked Questions

What is the IUPAC name of 6-[chloro-(2,6-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-[chloro-(2,6-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene (CID 63431220) is 6-[chloro-(2,6-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-[chloro-(2,6-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-[chloro-(2,6-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene is Clc1cccc(Cl)c1C(Cl)c1ccc2c(c1)CCCC2.
What is the InChIKey of 6-[chloro-(2,6-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is OHGUVEFKALBKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl3/c18-14-6-3-7-15(19)16(14)17(20)13-9-8-11-4-1-2-5-12(11)10-13/h3,6-10,17H,1-2,4-5H2.
What are the key properties of 6-[chloro-(2,6-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene?
6-[chloro-(2,6-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 325.67 g/mol, XLogP of 6.20, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[chloro-(2,6-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 63431220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).