2-[1-chloro-2-(2-methylphenyl)ethyl]-1-methoxy-4-methylbenzene

C17H19ClO — CID 63434818

IUPAC2-[1-chloro-2-(2-methylphenyl)ethyl]-1-methoxy-4-methylbenzene
SMILESCOc1ccc(C)cc1C(Cl)Cc1ccccc1C
InChIInChI=1S/C17H19ClO/c1-12-8-9-17(19-3)15(10-12)16(18)11-14-7-5-4-6-13(14)2/h4-10,16H,11H2,1-3H3
InChIKeyMIGBSMYVUHQLDW-UHFFFAOYSA-N
MW274.79 g/mol
LogP4.83
Rot. Bonds4

About 2-[1-chloro-2-(2-methylphenyl)ethyl]-1-methoxy-4-methylbenzene

2-[1-chloro-2-(2-methylphenyl)ethyl]-1-methoxy-4-methylbenzene (PubChem CID 63434818) has the molecular formula C17H19ClO and a molecular weight of 274.79 g/mol. Its IUPAC name is 2-[1-chloro-2-(2-methylphenyl)ethyl]-1-methoxy-4-methylbenzene.

Molecular Properties

Compound Name2-[1-chloro-2-(2-methylphenyl)ethyl]-1-methoxy-4-methylbenzene
PubChem CID63434818
Molecular FormulaC17H19ClO
Molecular Weight274.79 g/mol
Exact Mass274.11
IUPAC Name2-[1-chloro-2-(2-methylphenyl)ethyl]-1-methoxy-4-methylbenzene
SMILESCOc1ccc(C)cc1C(Cl)Cc1ccccc1C
InChIInChI=1S/C17H19ClO/c1-12-8-9-17(19-3)15(10-12)16(18)11-14-7-5-4-6-13(14)2/h4-10,16H,11H2,1-3H3
InChIKeyMIGBSMYVUHQLDW-UHFFFAOYSA-N
XLogP4.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.79
LogP ≤ 54.83
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-[1-chloro-2-(2-methylphenyl)ethyl]-1-methoxybenzene
CID 63542851
2-[1-chloro-2-(2-methylphenyl)ethyl]-1,4-dimethylbenzene
CID 63433987
2-[2-chloro-2-(2,5-dimethoxyphenyl)ethyl]-1,4-dimethylbenzene
CID 63429457
1-[1-chloro-2-(2-methylphenyl)ethyl]-2,3-dimethoxybenzene
CID 63016287
1-[1-chloro-2-(2-methoxyphenyl)ethyl]-2,3-dimethylbenzene
CID 63542139
2-[1-bromo-2-(2-methoxyphenyl)ethyl]-1-methoxy-4-methylbenzene
CID 63443300
2-[3-chloro-2-(2-methylphenyl)propyl]-1-methoxy-4-methylbenzene
CID 79418764
1-(2-methoxy-5-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine
CID 64634603
1-(2-methoxy-5-methylphenyl)-N-[2-(2-methylphenyl)ethyl]ethanamine
CID 79756686
2-[chloro-(2-methoxyphenyl)methyl]-1,4-dimethylbenzene
CID 55197746
2-[2-(2-bromophenyl)-2-chloroethyl]-1,4-dimethylbenzene
CID 55224263
3-chloro-3-(2-methoxy-5-methylphenyl)propanoic acid
CID 82366778

Frequently Asked Questions

What is the IUPAC name of 2-[1-chloro-2-(2-methylphenyl)ethyl]-1-methoxy-4-methylbenzene?
The IUPAC name of 2-[1-chloro-2-(2-methylphenyl)ethyl]-1-methoxy-4-methylbenzene (CID 63434818) is 2-[1-chloro-2-(2-methylphenyl)ethyl]-1-methoxy-4-methylbenzene.
What is the SMILES notation for 2-[1-chloro-2-(2-methylphenyl)ethyl]-1-methoxy-4-methylbenzene?
The canonical SMILES for 2-[1-chloro-2-(2-methylphenyl)ethyl]-1-methoxy-4-methylbenzene is COc1ccc(C)cc1C(Cl)Cc1ccccc1C.
What is the InChIKey of 2-[1-chloro-2-(2-methylphenyl)ethyl]-1-methoxy-4-methylbenzene?
The InChIKey is MIGBSMYVUHQLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO/c1-12-8-9-17(19-3)15(10-12)16(18)11-14-7-5-4-6-13(14)2/h4-10,16H,11H2,1-3H3.
What are the key properties of 2-[1-chloro-2-(2-methylphenyl)ethyl]-1-methoxy-4-methylbenzene?
2-[1-chloro-2-(2-methylphenyl)ethyl]-1-methoxy-4-methylbenzene has a molecular weight of 274.79 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-chloro-2-(2-methylphenyl)ethyl]-1-methoxy-4-methylbenzene is sourced from PubChem (CID 63434818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).