1-chloro-4-[chloro-(3-methylphenyl)methyl]naphthalene

C18H14Cl2 — CID 79596980

IUPAC1-chloro-4-[chloro-(3-methylphenyl)methyl]naphthalene
SMILESCc1cccc(C(Cl)c2ccc(Cl)c3ccccc23)c1
InChIInChI=1S/C18H14Cl2/c1-12-5-4-6-13(11-12)18(20)16-9-10-17(19)15-8-3-2-7-14(15)16/h2-11,18H,1H3
InChIKeyLZJLVJDZLJVFCN-UHFFFAOYSA-N
MW301.22 g/mol
LogP6.13
Rot. Bonds2

About 1-chloro-4-[chloro-(3-methylphenyl)methyl]naphthalene

1-chloro-4-[chloro-(3-methylphenyl)methyl]naphthalene (PubChem CID 79596980) has the molecular formula C18H14Cl2 and a molecular weight of 301.22 g/mol. Its IUPAC name is 1-chloro-4-[chloro-(3-methylphenyl)methyl]naphthalene.

Molecular Properties

Compound Name1-chloro-4-[chloro-(3-methylphenyl)methyl]naphthalene
PubChem CID79596980
Molecular FormulaC18H14Cl2
Molecular Weight301.22 g/mol
Exact Mass300.05
IUPAC Name1-chloro-4-[chloro-(3-methylphenyl)methyl]naphthalene
SMILESCc1cccc(C(Cl)c2ccc(Cl)c3ccccc23)c1
InChIInChI=1S/C18H14Cl2/c1-12-5-4-6-13(11-12)18(20)16-9-10-17(19)15-8-3-2-7-14(15)16/h2-11,18H,1H3
InChIKeyLZJLVJDZLJVFCN-UHFFFAOYSA-N
XLogP6.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.22
LogP ≤ 56.13
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-4-[chloro-(2,4-dimethylphenyl)methyl]naphthalene
CID 79592602
1-chloro-4-[chloro-(4-chloro-3-fluorophenyl)methyl]naphthalene
CID 107991970
1,2-dichloro-4-[chloro-(3-methylphenyl)methyl]benzene
CID 63436326
1-chloro-4-[1-chloro-2-(3-methylphenyl)ethyl]naphthalene
CID 79592812
1-[bromo-(3,5-dimethylphenyl)methyl]-4-chloronaphthalene
CID 79593024
1-[(3-bromo-2-methylphenyl)-chloromethyl]-4-chloronaphthalene
CID 79592610
1-chloro-2-[chloro-(3-methylphenyl)methyl]-4,5-dimethoxybenzene
CID 63432995
1-chloro-4-[chloro-(2,5-dichlorophenyl)methyl]naphthalene
CID 79592810
1-[chloro-(2-chloro-4-methylphenyl)methyl]-4-methylnaphthalene
CID 106863171
1-[chloro-(3-methylphenyl)methyl]-2,4-di(propan-2-yl)benzene
CID 63431573
1-[bromo-(2-chloro-4-methylphenyl)methyl]-4-chloronaphthalene
CID 106863195
(3-chloro-5-methylphenyl)-(4-chloronaphthalen-1-yl)methanol
CID 81317253

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[chloro-(3-methylphenyl)methyl]naphthalene?
The IUPAC name of 1-chloro-4-[chloro-(3-methylphenyl)methyl]naphthalene (CID 79596980) is 1-chloro-4-[chloro-(3-methylphenyl)methyl]naphthalene.
What is the SMILES notation for 1-chloro-4-[chloro-(3-methylphenyl)methyl]naphthalene?
The canonical SMILES for 1-chloro-4-[chloro-(3-methylphenyl)methyl]naphthalene is Cc1cccc(C(Cl)c2ccc(Cl)c3ccccc23)c1.
What is the InChIKey of 1-chloro-4-[chloro-(3-methylphenyl)methyl]naphthalene?
The InChIKey is LZJLVJDZLJVFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2/c1-12-5-4-6-13(11-12)18(20)16-9-10-17(19)15-8-3-2-7-14(15)16/h2-11,18H,1H3.
What are the key properties of 1-chloro-4-[chloro-(3-methylphenyl)methyl]naphthalene?
1-chloro-4-[chloro-(3-methylphenyl)methyl]naphthalene has a molecular weight of 301.22 g/mol, XLogP of 6.13, 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-(3-methylphenyl)methyl]naphthalene is sourced from PubChem (CID 79596980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).