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

C17H18Cl2O — CID 83067906

IUPAC5-[chloro-(5-chloro-2-methylphenyl)methyl]-2-methoxy-1,3-dimethylbenzene
SMILESCOc1c(C)cc(C(Cl)c2cc(Cl)ccc2C)cc1C
InChIInChI=1S/C17H18Cl2O/c1-10-5-6-14(18)9-15(10)16(19)13-7-11(2)17(20-4)12(3)8-13/h5-9,16H,1-4H3
InChIKeyMWZPVENSYVNVRV-UHFFFAOYSA-N
MW309.24 g/mol
LogP5.60
Rot. Bonds3

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

5-[chloro-(5-chloro-2-methylphenyl)methyl]-2-methoxy-1,3-dimethylbenzene (PubChem CID 83067906) has the molecular formula C17H18Cl2O and a molecular weight of 309.24 g/mol. Its IUPAC name is 5-[chloro-(5-chloro-2-methylphenyl)methyl]-2-methoxy-1,3-dimethylbenzene.

Molecular Properties

Compound Name5-[chloro-(5-chloro-2-methylphenyl)methyl]-2-methoxy-1,3-dimethylbenzene
PubChem CID83067906
Molecular FormulaC17H18Cl2O
Molecular Weight309.24 g/mol
Exact Mass308.07
IUPAC Name5-[chloro-(5-chloro-2-methylphenyl)methyl]-2-methoxy-1,3-dimethylbenzene
SMILESCOc1c(C)cc(C(Cl)c2cc(Cl)ccc2C)cc1C
InChIInChI=1S/C17H18Cl2O/c1-10-5-6-14(18)9-15(10)16(19)13-7-11(2)17(20-4)12(3)8-13/h5-9,16H,1-4H3
InChIKeyMWZPVENSYVNVRV-UHFFFAOYSA-N
XLogP5.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.24
LogP ≤ 55.60
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

4-chloro-2-[chloro-(4-chlorophenyl)methyl]-1-methylbenzene
CID 82891392
4-chloro-2-[chloro-(3,4-dimethylphenyl)methyl]-1-methoxybenzene
CID 63427370
5-[chloro-(5-chloro-2-methoxyphenyl)methyl]-2-fluoro-1,3-dimethylbenzene
CID 65296595
5-[bromo-(2,4-dichlorophenyl)methyl]-2-methoxy-1,3-dimethylbenzene
CID 83068733
5-[chloro-(4-chloro-3-fluorophenyl)methyl]-2-methoxy-1,3-dimethylbenzene
CID 107992162
4-chloro-2-[chloro-(4-ethylphenyl)methyl]-1-methylbenzene
CID 82890709
1-[chloro-(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethylbenzene
CID 113425541
4-chloro-2-[chloro-(4-methoxy-3-methylphenyl)methyl]-1-fluorobenzene
CID 63434447
2-chloro-4-[chloro-(5-chloro-2-methoxyphenyl)methyl]-1-methylbenzene
CID 113425550
1-bromo-5-[chloro-(5-chloro-2-methylphenyl)methyl]-4-methoxy-2-methylbenzene
CID 82891475
(2-bromo-4-chlorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine
CID 107987604
2-[bromo-(3,4-dimethoxyphenyl)methyl]-4-chloro-1-methylbenzene
CID 82890864

Frequently Asked Questions

What is the IUPAC name of 5-[chloro-(5-chloro-2-methylphenyl)methyl]-2-methoxy-1,3-dimethylbenzene?
The IUPAC name of 5-[chloro-(5-chloro-2-methylphenyl)methyl]-2-methoxy-1,3-dimethylbenzene (CID 83067906) is 5-[chloro-(5-chloro-2-methylphenyl)methyl]-2-methoxy-1,3-dimethylbenzene.
What is the SMILES notation for 5-[chloro-(5-chloro-2-methylphenyl)methyl]-2-methoxy-1,3-dimethylbenzene?
The canonical SMILES for 5-[chloro-(5-chloro-2-methylphenyl)methyl]-2-methoxy-1,3-dimethylbenzene is COc1c(C)cc(C(Cl)c2cc(Cl)ccc2C)cc1C.
What is the InChIKey of 5-[chloro-(5-chloro-2-methylphenyl)methyl]-2-methoxy-1,3-dimethylbenzene?
The InChIKey is MWZPVENSYVNVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2O/c1-10-5-6-14(18)9-15(10)16(19)13-7-11(2)17(20-4)12(3)8-13/h5-9,16H,1-4H3.
What are the key properties of 5-[chloro-(5-chloro-2-methylphenyl)methyl]-2-methoxy-1,3-dimethylbenzene?
5-[chloro-(5-chloro-2-methylphenyl)methyl]-2-methoxy-1,3-dimethylbenzene has a molecular weight of 309.24 g/mol, XLogP of 5.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[chloro-(5-chloro-2-methylphenyl)methyl]-2-methoxy-1,3-dimethylbenzene is sourced from PubChem (CID 83067906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).