1-[chloro-(3-chloro-2-methylphenyl)methyl]-4-methylnaphthalene

C19H16Cl2 — CID 107099272

IUPAC1-[chloro-(3-chloro-2-methylphenyl)methyl]-4-methylnaphthalene
SMILESCc1c(Cl)cccc1C(Cl)c1ccc(C)c2ccccc12
InChIInChI=1S/C19H16Cl2/c1-12-10-11-17(16-7-4-3-6-14(12)16)19(21)15-8-5-9-18(20)13(15)2/h3-11,19H,1-2H3
InChIKeyHUVXVKGBGLPRKN-UHFFFAOYSA-N
MW315.24 g/mol
LogP6.44
Rot. Bonds2

About 1-[chloro-(3-chloro-2-methylphenyl)methyl]-4-methylnaphthalene

1-[chloro-(3-chloro-2-methylphenyl)methyl]-4-methylnaphthalene (PubChem CID 107099272) has the molecular formula C19H16Cl2 and a molecular weight of 315.24 g/mol. Its IUPAC name is 1-[chloro-(3-chloro-2-methylphenyl)methyl]-4-methylnaphthalene.

Molecular Properties

Compound Name1-[chloro-(3-chloro-2-methylphenyl)methyl]-4-methylnaphthalene
PubChem CID107099272
Molecular FormulaC19H16Cl2
Molecular Weight315.24 g/mol
Exact Mass314.06
IUPAC Name1-[chloro-(3-chloro-2-methylphenyl)methyl]-4-methylnaphthalene
SMILESCc1c(Cl)cccc1C(Cl)c1ccc(C)c2ccccc12
InChIInChI=1S/C19H16Cl2/c1-12-10-11-17(16-7-4-3-6-14(12)16)19(21)15-8-5-9-18(20)13(15)2/h3-11,19H,1-2H3
InChIKeyHUVXVKGBGLPRKN-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-(2-methylsulfanylphenyl)methyl]-4-methylnaphthalene
CID 79212013
1-[(3-bromo-2-methylphenyl)-chloromethyl]-4-chloronaphthalene
CID 79592610
3-[chloro-(3-chloro-2-methylphenyl)methyl]-1-benzothiophene
CID 107099073
1-[chloro-(3-chloro-4-fluorophenyl)methyl]-4-methylnaphthalene
CID 82876216
1-chloro-4-[chloro-(2,4-dimethylphenyl)methyl]naphthalene
CID 79592602
(3-chloro-2-methylphenyl)-(2-methylnaphthalen-1-yl)methanamine
CID 107096609
4-[chloro-(4-methylnaphthalen-1-yl)methyl]-2-methylfuran
CID 114822588
2-bromo-5-[chloro-(3-chloro-2-methylphenyl)methyl]thiophene
CID 107099110
1-bromo-4-[chloro-(2-fluoro-3-methylphenyl)methyl]naphthalene
CID 81482247
1-(difluoromethyl)-4-methylnaphthalene
CID 53408199
2-bromo-4-[chloro-(4-methylnaphthalen-1-yl)methyl]thiophene
CID 114021666

Frequently Asked Questions

What is the IUPAC name of 1-[chloro-(3-chloro-2-methylphenyl)methyl]-4-methylnaphthalene?
The IUPAC name of 1-[chloro-(3-chloro-2-methylphenyl)methyl]-4-methylnaphthalene (CID 107099272) is 1-[chloro-(3-chloro-2-methylphenyl)methyl]-4-methylnaphthalene.
What is the SMILES notation for 1-[chloro-(3-chloro-2-methylphenyl)methyl]-4-methylnaphthalene?
The canonical SMILES for 1-[chloro-(3-chloro-2-methylphenyl)methyl]-4-methylnaphthalene is Cc1c(Cl)cccc1C(Cl)c1ccc(C)c2ccccc12.
What is the InChIKey of 1-[chloro-(3-chloro-2-methylphenyl)methyl]-4-methylnaphthalene?
The InChIKey is HUVXVKGBGLPRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2/c1-12-10-11-17(16-7-4-3-6-14(12)16)19(21)15-8-5-9-18(20)13(15)2/h3-11,19H,1-2H3.
What are the key properties of 1-[chloro-(3-chloro-2-methylphenyl)methyl]-4-methylnaphthalene?
1-[chloro-(3-chloro-2-methylphenyl)methyl]-4-methylnaphthalene 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-(3-chloro-2-methylphenyl)methyl]-4-methylnaphthalene is sourced from PubChem (CID 107099272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).