1-[chloro-(2,5-dichlorophenyl)methyl]-2-methylnaphthalene

C18H13Cl3 — CID 81429992

IUPAC1-[chloro-(2,5-dichlorophenyl)methyl]-2-methylnaphthalene
SMILESCc1ccc2ccccc2c1C(Cl)c1cc(Cl)ccc1Cl
InChIInChI=1S/C18H13Cl3/c1-11-6-7-12-4-2-3-5-14(12)17(11)18(21)15-10-13(19)8-9-16(15)20/h2-10,18H,1H3
InChIKeyYTMLNYTWYJBLLN-UHFFFAOYSA-N
MW335.66 g/mol
LogP6.78
Rot. Bonds2

About 1-[chloro-(2,5-dichlorophenyl)methyl]-2-methylnaphthalene

1-[chloro-(2,5-dichlorophenyl)methyl]-2-methylnaphthalene (PubChem CID 81429992) has the molecular formula C18H13Cl3 and a molecular weight of 335.66 g/mol. Its IUPAC name is 1-[chloro-(2,5-dichlorophenyl)methyl]-2-methylnaphthalene.

Molecular Properties

Compound Name1-[chloro-(2,5-dichlorophenyl)methyl]-2-methylnaphthalene
PubChem CID81429992
Molecular FormulaC18H13Cl3
Molecular Weight335.66 g/mol
Exact Mass334.01
IUPAC Name1-[chloro-(2,5-dichlorophenyl)methyl]-2-methylnaphthalene
SMILESCc1ccc2ccccc2c1C(Cl)c1cc(Cl)ccc1Cl
InChIInChI=1S/C18H13Cl3/c1-11-6-7-12-4-2-3-5-14(12)17(11)18(21)15-10-13(19)8-9-16(15)20/h2-10,18H,1H3
InChIKeyYTMLNYTWYJBLLN-UHFFFAOYSA-N
XLogP6.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.66
LogP ≤ 56.78
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

1-[chloro-(2,4-dichlorophenyl)methyl]-2-methylnaphthalene
CID 81430002
1-[bromo-(5-chloro-2-methylphenyl)methyl]-2-methylnaphthalene
CID 82874592
1-[chloro-(2-iodophenyl)methyl]-2-methylnaphthalene
CID 81432519
1-[1-chloro-2-(3-chlorophenyl)ethyl]-2-methylnaphthalene
CID 81430010
1-chloro-4-[chloro-(2,5-dichlorophenyl)methyl]naphthalene
CID 79592810
1,4-dichloro-2-[chloro-(2-chlorophenyl)methyl]benzene
CID 55200431
ethane;2-methyl-1-propan-2-ylnaphthalene
CID 144871891
3-[chloro-(2-methylnaphthalen-1-yl)methyl]-2,4,5-trimethylfuran
CID 81429043
1-[bromo-(4-chloro-3-fluorophenyl)methyl]-2-methylnaphthalene
CID 107992100
(3,5-dichlorophenyl)-(2-methylnaphthalen-1-yl)methanamine
CID 81430120
2-(3-chlorophenyl)-1-(2-methylnaphthalen-1-yl)ethanol
CID 81430142
1-(1-chloro-2-methylpentyl)-2-methylnaphthalene
CID 81431735

Frequently Asked Questions

What is the IUPAC name of 1-[chloro-(2,5-dichlorophenyl)methyl]-2-methylnaphthalene?
The IUPAC name of 1-[chloro-(2,5-dichlorophenyl)methyl]-2-methylnaphthalene (CID 81429992) is 1-[chloro-(2,5-dichlorophenyl)methyl]-2-methylnaphthalene.
What is the SMILES notation for 1-[chloro-(2,5-dichlorophenyl)methyl]-2-methylnaphthalene?
The canonical SMILES for 1-[chloro-(2,5-dichlorophenyl)methyl]-2-methylnaphthalene is Cc1ccc2ccccc2c1C(Cl)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-[chloro-(2,5-dichlorophenyl)methyl]-2-methylnaphthalene?
The InChIKey is YTMLNYTWYJBLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl3/c1-11-6-7-12-4-2-3-5-14(12)17(11)18(21)15-10-13(19)8-9-16(15)20/h2-10,18H,1H3.
What are the key properties of 1-[chloro-(2,5-dichlorophenyl)methyl]-2-methylnaphthalene?
1-[chloro-(2,5-dichlorophenyl)methyl]-2-methylnaphthalene has a molecular weight of 335.66 g/mol, XLogP of 6.78, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro-(2,5-dichlorophenyl)methyl]-2-methylnaphthalene is sourced from PubChem (CID 81429992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).