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

C17H19ClO — CID 63542139

IUPAC1-[1-chloro-2-(2-methoxyphenyl)ethyl]-2,3-dimethylbenzene
SMILESCOc1ccccc1CC(Cl)c1cccc(C)c1C
InChIInChI=1S/C17H19ClO/c1-12-7-6-9-15(13(12)2)16(18)11-14-8-4-5-10-17(14)19-3/h4-10,16H,11H2,1-3H3
InChIKeyRKGPMQHQIUVUOL-UHFFFAOYSA-N
MW274.79 g/mol
LogP4.83
Rot. Bonds4

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

1-[1-chloro-2-(2-methoxyphenyl)ethyl]-2,3-dimethylbenzene (PubChem CID 63542139) has the molecular formula C17H19ClO and a molecular weight of 274.79 g/mol. Its IUPAC name is 1-[1-chloro-2-(2-methoxyphenyl)ethyl]-2,3-dimethylbenzene.

Molecular Properties

Compound Name1-[1-chloro-2-(2-methoxyphenyl)ethyl]-2,3-dimethylbenzene
PubChem CID63542139
Molecular FormulaC17H19ClO
Molecular Weight274.79 g/mol
Exact Mass274.11
IUPAC Name1-[1-chloro-2-(2-methoxyphenyl)ethyl]-2,3-dimethylbenzene
SMILESCOc1ccccc1CC(Cl)c1cccc(C)c1C
InChIInChI=1S/C17H19ClO/c1-12-7-6-9-15(13(12)2)16(18)11-14-8-4-5-10-17(14)19-3/h4-10,16H,11H2,1-3H3
InChIKeyRKGPMQHQIUVUOL-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'}

Analyze 1-[1-chloro-2-(2-methoxyphenyl)ethyl]-2,3-dimethylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-chloro-2-(2-methylphenyl)ethyl]-2,3-dimethoxybenzene
CID 63016287
1-bromo-2-[1-chloro-2-(2-methoxyphenyl)ethyl]benzene
CID 63543875
2-[1-chloro-2-(2-methylphenyl)ethyl]-1-methoxy-4-methylbenzene
CID 63434818
1-[1-chloro-2-(4-methoxyphenyl)ethyl]-2,3-dimethylbenzene
CID 63520582
4-chloro-2-[1-chloro-2-(2-methylphenyl)ethyl]-1-methoxybenzene
CID 63542851
5-[1-chloro-2-(2-methoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine
CID 63018528
4-chloro-1-[1-chloro-2-(2-methoxyphenyl)ethyl]-2-methoxybenzene
CID 63542835
1-[1-bromo-2-(2-methoxyphenyl)ethyl]-2-iodo-3-methylbenzene
CID 114029621
1-(2-bromo-3-methylphenyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 107982814
3-[1-chloro-2-(2-methoxyphenyl)ethyl]-1-benzothiophene
CID 63433316
4-[1-chloro-2-(2-methoxyphenyl)ethyl]-1-fluoro-2-methylbenzene
CID 63543003
2-chloro-5-[1-chloro-2-(2-methoxyphenyl)ethyl]-3-methylthiophene
CID 102764766

Frequently Asked Questions

What is the IUPAC name of 1-[1-chloro-2-(2-methoxyphenyl)ethyl]-2,3-dimethylbenzene?
The IUPAC name of 1-[1-chloro-2-(2-methoxyphenyl)ethyl]-2,3-dimethylbenzene (CID 63542139) is 1-[1-chloro-2-(2-methoxyphenyl)ethyl]-2,3-dimethylbenzene.
What is the SMILES notation for 1-[1-chloro-2-(2-methoxyphenyl)ethyl]-2,3-dimethylbenzene?
The canonical SMILES for 1-[1-chloro-2-(2-methoxyphenyl)ethyl]-2,3-dimethylbenzene is COc1ccccc1CC(Cl)c1cccc(C)c1C.
What is the InChIKey of 1-[1-chloro-2-(2-methoxyphenyl)ethyl]-2,3-dimethylbenzene?
The InChIKey is RKGPMQHQIUVUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO/c1-12-7-6-9-15(13(12)2)16(18)11-14-8-4-5-10-17(14)19-3/h4-10,16H,11H2,1-3H3.
What are the key properties of 1-[1-chloro-2-(2-methoxyphenyl)ethyl]-2,3-dimethylbenzene?
1-[1-chloro-2-(2-methoxyphenyl)ethyl]-2,3-dimethylbenzene 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 1-[1-chloro-2-(2-methoxyphenyl)ethyl]-2,3-dimethylbenzene is sourced from PubChem (CID 63542139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).