1-[chloro-(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethylbenzene

C16H16Cl2O — CID 113425541

IUPAC1-[chloro-(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethylbenzene
SMILESCOc1ccc(Cl)cc1C(Cl)c1cc(C)cc(C)c1
InChIInChI=1S/C16H16Cl2O/c1-10-6-11(2)8-12(7-10)16(18)14-9-13(17)4-5-15(14)19-3/h4-9,16H,1-3H3
InChIKeyZYFMQBHJKIWAJE-UHFFFAOYSA-N
MW295.21 g/mol
LogP5.29
Rot. Bonds3

About 1-[chloro-(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethylbenzene

1-[chloro-(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethylbenzene (PubChem CID 113425541) has the molecular formula C16H16Cl2O and a molecular weight of 295.21 g/mol. Its IUPAC name is 1-[chloro-(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethylbenzene.

Molecular Properties

Compound Name1-[chloro-(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethylbenzene
PubChem CID113425541
Molecular FormulaC16H16Cl2O
Molecular Weight295.21 g/mol
Exact Mass294.06
IUPAC Name1-[chloro-(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethylbenzene
SMILESCOc1ccc(Cl)cc1C(Cl)c1cc(C)cc(C)c1
InChIInChI=1S/C16H16Cl2O/c1-10-6-11(2)8-12(7-10)16(18)14-9-13(17)4-5-15(14)19-3/h4-9,16H,1-3H3
InChIKeyZYFMQBHJKIWAJE-UHFFFAOYSA-N
XLogP5.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.21
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-[chloro-(5-chloro-2-methoxyphenyl)methyl]-2-fluoro-1,3-dimethylbenzene
CID 65296595
4-chloro-2-[chloro-(3,4-dimethylphenyl)methyl]-1-methoxybenzene
CID 63427370
2-[(4-bromophenyl)-chloromethyl]-4-chloro-1-methoxybenzene
CID 63428998
2-chloro-4-[chloro-(5-chloro-2-methoxyphenyl)methyl]-1-methylbenzene
CID 113425550
1-[chloro-(5-chloro-2-methoxyphenyl)methyl]-2-fluoro-4-methylbenzene
CID 104546404
1-bromo-3-[(5-bromo-2-methoxyphenyl)-chloromethyl]-5-methylbenzene
CID 113460980
2-[chloro-(5-chloro-2-methoxyphenyl)methyl]-5-methylthiophene
CID 63430566
4-chloro-2-[chloro-(4-methoxy-3-methylphenyl)methyl]-1-fluorobenzene
CID 63434447
5-[chloro-(5-chloro-2-methoxyphenyl)methyl]-1,3-dihydro-2-benzofuran
CID 63020619
5-[chloro-(5-chloro-2-methylphenyl)methyl]-2-methoxy-1,3-dimethylbenzene
CID 83067906
4-chloro-2-[chloro-(2-ethoxyphenyl)methyl]-1-methoxybenzene
CID 104546392
2-chloro-4-[chloro-(4-chloro-2-methylphenyl)methyl]-1-methoxybenzene
CID 114028096

Frequently Asked Questions

What is the IUPAC name of 1-[chloro-(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethylbenzene?
The IUPAC name of 1-[chloro-(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethylbenzene (CID 113425541) is 1-[chloro-(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethylbenzene.
What is the SMILES notation for 1-[chloro-(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethylbenzene?
The canonical SMILES for 1-[chloro-(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethylbenzene is COc1ccc(Cl)cc1C(Cl)c1cc(C)cc(C)c1.
What is the InChIKey of 1-[chloro-(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethylbenzene?
The InChIKey is ZYFMQBHJKIWAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2O/c1-10-6-11(2)8-12(7-10)16(18)14-9-13(17)4-5-15(14)19-3/h4-9,16H,1-3H3.
What are the key properties of 1-[chloro-(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethylbenzene?
1-[chloro-(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethylbenzene has a molecular weight of 295.21 g/mol, XLogP of 5.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro-(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethylbenzene is sourced from PubChem (CID 113425541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).