1-[1-chloro-2-(2-methylphenyl)ethyl]-2,3-dimethoxybenzene

C17H19ClO2 — CID 63016287

IUPAC1-[1-chloro-2-(2-methylphenyl)ethyl]-2,3-dimethoxybenzene
SMILESCOc1cccc(C(Cl)Cc2ccccc2C)c1OC
InChIInChI=1S/C17H19ClO2/c1-12-7-4-5-8-13(12)11-15(18)14-9-6-10-16(19-2)17(14)20-3/h4-10,15H,11H2,1-3H3
InChIKeyKZJOQOVAMBZIII-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.53
Rot. Bonds5

About 1-[1-chloro-2-(2-methylphenyl)ethyl]-2,3-dimethoxybenzene

1-[1-chloro-2-(2-methylphenyl)ethyl]-2,3-dimethoxybenzene (PubChem CID 63016287) has the molecular formula C17H19ClO2 and a molecular weight of 290.79 g/mol. Its IUPAC name is 1-[1-chloro-2-(2-methylphenyl)ethyl]-2,3-dimethoxybenzene.

Molecular Properties

Compound Name1-[1-chloro-2-(2-methylphenyl)ethyl]-2,3-dimethoxybenzene
PubChem CID63016287
Molecular FormulaC17H19ClO2
Molecular Weight290.79 g/mol
Exact Mass290.11
IUPAC Name1-[1-chloro-2-(2-methylphenyl)ethyl]-2,3-dimethoxybenzene
SMILESCOc1cccc(C(Cl)Cc2ccccc2C)c1OC
InChIInChI=1S/C17H19ClO2/c1-12-7-4-5-8-13(12)11-15(18)14-9-6-10-16(19-2)17(14)20-3/h4-10,15H,11H2,1-3H3
InChIKeyKZJOQOVAMBZIII-UHFFFAOYSA-N
XLogP4.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[1-chloro-2-(2-methoxyphenyl)ethyl]-2,3-dimethylbenzene
CID 63542139
2-[1-chloro-2-(2-methylphenyl)ethyl]-1-methoxy-4-methylbenzene
CID 63434818
4-chloro-2-[1-chloro-2-(2-methylphenyl)ethyl]-1-methoxybenzene
CID 63542851
1-(2-chloro-3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethanol
CID 63895522
[(2,3-dimethoxyphenyl)-(2-methylphenyl)methyl]hydrazine
CID 105286106
1-bromo-2-[1-chloro-2-(2-methoxyphenyl)ethyl]benzene
CID 63543875
1-(2,3-dimethoxyphenyl)-2-(2,6-dimethylphenyl)ethanamine
CID 105174573
2-[1-chloro-2-(2-methylphenyl)ethyl]-1,4-dimethylbenzene
CID 63433987
5-[1-chloro-2-(2-methoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine
CID 63018528
1-(2-chloro-2-phenylethyl)-2-methylbenzene
CID 13075090
5-[1-chloro-2-(2-methylphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine
CID 63544403
3-[1-chloro-2-(2-methoxyphenyl)ethyl]-1-benzothiophene
CID 63433316

Frequently Asked Questions

What is the IUPAC name of 1-[1-chloro-2-(2-methylphenyl)ethyl]-2,3-dimethoxybenzene?
The IUPAC name of 1-[1-chloro-2-(2-methylphenyl)ethyl]-2,3-dimethoxybenzene (CID 63016287) is 1-[1-chloro-2-(2-methylphenyl)ethyl]-2,3-dimethoxybenzene.
What is the SMILES notation for 1-[1-chloro-2-(2-methylphenyl)ethyl]-2,3-dimethoxybenzene?
The canonical SMILES for 1-[1-chloro-2-(2-methylphenyl)ethyl]-2,3-dimethoxybenzene is COc1cccc(C(Cl)Cc2ccccc2C)c1OC.
What is the InChIKey of 1-[1-chloro-2-(2-methylphenyl)ethyl]-2,3-dimethoxybenzene?
The InChIKey is KZJOQOVAMBZIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO2/c1-12-7-4-5-8-13(12)11-15(18)14-9-6-10-16(19-2)17(14)20-3/h4-10,15H,11H2,1-3H3.
What are the key properties of 1-[1-chloro-2-(2-methylphenyl)ethyl]-2,3-dimethoxybenzene?
1-[1-chloro-2-(2-methylphenyl)ethyl]-2,3-dimethoxybenzene has a molecular weight of 290.79 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-chloro-2-(2-methylphenyl)ethyl]-2,3-dimethoxybenzene is sourced from PubChem (CID 63016287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).