1-chloro-4-[chloro-(2,4-dimethylphenyl)methyl]naphthalene

C19H16Cl2 — CID 79592602

IUPAC1-chloro-4-[chloro-(2,4-dimethylphenyl)methyl]naphthalene
SMILESCc1ccc(C(Cl)c2ccc(Cl)c3ccccc23)c(C)c1
InChIInChI=1S/C19H16Cl2/c1-12-7-8-14(13(2)11-12)19(21)17-9-10-18(20)16-6-4-3-5-15(16)17/h3-11,19H,1-2H3
InChIKeySLYIONSSPSUIDG-UHFFFAOYSA-N
MW315.24 g/mol
LogP6.44
Rot. Bonds2

About 1-chloro-4-[chloro-(2,4-dimethylphenyl)methyl]naphthalene

1-chloro-4-[chloro-(2,4-dimethylphenyl)methyl]naphthalene (PubChem CID 79592602) has the molecular formula C19H16Cl2 and a molecular weight of 315.24 g/mol. Its IUPAC name is 1-chloro-4-[chloro-(2,4-dimethylphenyl)methyl]naphthalene.

Molecular Properties

Compound Name1-chloro-4-[chloro-(2,4-dimethylphenyl)methyl]naphthalene
PubChem CID79592602
Molecular FormulaC19H16Cl2
Molecular Weight315.24 g/mol
Exact Mass314.06
IUPAC Name1-chloro-4-[chloro-(2,4-dimethylphenyl)methyl]naphthalene
SMILESCc1ccc(C(Cl)c2ccc(Cl)c3ccccc23)c(C)c1
InChIInChI=1S/C19H16Cl2/c1-12-7-8-14(13(2)11-12)19(21)17-9-10-18(20)16-6-4-3-5-15(16)17/h3-11,19H,1-2H3
InChIKeySLYIONSSPSUIDG-UHFFFAOYSA-N
XLogP6.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.24
LogP ≤ 56.44
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-chloro-4-methylphenyl)methyl]-4-methylnaphthalene
CID 106863171
1-chloro-4-[chloro-(3-methylphenyl)methyl]naphthalene
CID 79596980
1-[chloro-(2-chloro-4-methylphenyl)methyl]-2,4-dimethylbenzene
CID 106862883
1-[bromo-(2,5-dimethylphenyl)methyl]-4-chloronaphthalene
CID 79592838
1-chloro-4-[chloro-(2,5-dichlorophenyl)methyl]naphthalene
CID 79592810
1-[bromo-(2-chloro-4-methylphenyl)methyl]-4-chloronaphthalene
CID 106863195
1-chloro-4-[chloro-(5-chloro-2-fluorophenyl)methyl]naphthalene
CID 79592824
1-[(3-bromo-2-methylphenyl)-chloromethyl]-4-chloronaphthalene
CID 79592610
1-chloro-2-[chloro-(2,4-dimethylphenyl)methyl]-5-fluoro-4-methylbenzene
CID 81050811
1-chloro-4-[chloro-(2,4-dibromophenyl)methyl]naphthalene
CID 107958979
1-chloro-4-[chloro-(2,4-dimethylphenyl)methyl]-2,5-difluorobenzene
CID 82771221
1-[chloro-(2,4-dimethylphenyl)methyl]-2-fluoro-3-methylbenzene
CID 81477595

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[chloro-(2,4-dimethylphenyl)methyl]naphthalene?
The IUPAC name of 1-chloro-4-[chloro-(2,4-dimethylphenyl)methyl]naphthalene (CID 79592602) is 1-chloro-4-[chloro-(2,4-dimethylphenyl)methyl]naphthalene.
What is the SMILES notation for 1-chloro-4-[chloro-(2,4-dimethylphenyl)methyl]naphthalene?
The canonical SMILES for 1-chloro-4-[chloro-(2,4-dimethylphenyl)methyl]naphthalene is Cc1ccc(C(Cl)c2ccc(Cl)c3ccccc23)c(C)c1.
What is the InChIKey of 1-chloro-4-[chloro-(2,4-dimethylphenyl)methyl]naphthalene?
The InChIKey is SLYIONSSPSUIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2/c1-12-7-8-14(13(2)11-12)19(21)17-9-10-18(20)16-6-4-3-5-15(16)17/h3-11,19H,1-2H3.
What are the key properties of 1-chloro-4-[chloro-(2,4-dimethylphenyl)methyl]naphthalene?
1-chloro-4-[chloro-(2,4-dimethylphenyl)methyl]naphthalene has a molecular weight of 315.24 g/mol, XLogP of 6.44, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[chloro-(2,4-dimethylphenyl)methyl]naphthalene is sourced from PubChem (CID 79592602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).