4-[2-(chloromethyl)phenyl]-1-methoxy-2-methylbenzene

C15H15ClO — CID 126696020

IUPAC4-[2-(chloromethyl)phenyl]-1-methoxy-2-methylbenzene
SMILESCOc1ccc(-c2ccccc2CCl)cc1C
InChIInChI=1S/C15H15ClO/c1-11-9-12(7-8-15(11)17-2)14-6-4-3-5-13(14)10-16/h3-9H,10H2,1-2H3
InChIKeyXRIRLWSKJFETOI-UHFFFAOYSA-N
MW246.74 g/mol
LogP4.41
Rot. Bonds3

About 4-[2-(chloromethyl)phenyl]-1-methoxy-2-methylbenzene

4-[2-(chloromethyl)phenyl]-1-methoxy-2-methylbenzene (PubChem CID 126696020) has the molecular formula C15H15ClO and a molecular weight of 246.74 g/mol. Its IUPAC name is 4-[2-(chloromethyl)phenyl]-1-methoxy-2-methylbenzene.

Molecular Properties

Compound Name4-[2-(chloromethyl)phenyl]-1-methoxy-2-methylbenzene
PubChem CID126696020
Molecular FormulaC15H15ClO
Molecular Weight246.74 g/mol
Exact Mass246.08
IUPAC Name4-[2-(chloromethyl)phenyl]-1-methoxy-2-methylbenzene
SMILESCOc1ccc(-c2ccccc2CCl)cc1C
InChIInChI=1S/C15H15ClO/c1-11-9-12(7-8-15(11)17-2)14-6-4-3-5-13(14)10-16/h3-9H,10H2,1-2H3
InChIKeyXRIRLWSKJFETOI-UHFFFAOYSA-N
XLogP4.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 54.41
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

2-(4-methoxy-3-methylphenyl)phenol
CID 53218559
2-[2,3-bis(4-methoxy-3-methylphenyl)phenyl]ethanol
CID 173306019
2-(4-methoxy-3-methylphenyl)benzaldehyde
CID 54910312
3-[[2-(4-methoxy-3-methylphenyl)phenyl]methoxy]pyrrolidine
CID 68926900
methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
CID 161175155
1-methoxy-2-methyl-4-(2-methylsulfonylphenyl)benzene
CID 58902832
1-[2-(chloromethyl)phenyl]-2-methoxynaphthalene
CID 169227684
2-[2-(3,4-dimethoxyphenyl)phenyl]acetaldehyde
CID 87253869
N-[[5-chloro-2-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-2-amine
CID 66158279
4-(chloromethyl)-6-(4-methoxy-3-methylphenyl)-2-methylpyridazin-3-one
CID 82444490
3-[2-(3,4-dimethoxyphenyl)phenyl]propan-1-amine
CID 69397139
N-[[5-chloro-2-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-1-amine
CID 66158083

Frequently Asked Questions

What is the IUPAC name of 4-[2-(chloromethyl)phenyl]-1-methoxy-2-methylbenzene?
The IUPAC name of 4-[2-(chloromethyl)phenyl]-1-methoxy-2-methylbenzene (CID 126696020) is 4-[2-(chloromethyl)phenyl]-1-methoxy-2-methylbenzene.
What is the SMILES notation for 4-[2-(chloromethyl)phenyl]-1-methoxy-2-methylbenzene?
The canonical SMILES for 4-[2-(chloromethyl)phenyl]-1-methoxy-2-methylbenzene is COc1ccc(-c2ccccc2CCl)cc1C.
What is the InChIKey of 4-[2-(chloromethyl)phenyl]-1-methoxy-2-methylbenzene?
The InChIKey is XRIRLWSKJFETOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO/c1-11-9-12(7-8-15(11)17-2)14-6-4-3-5-13(14)10-16/h3-9H,10H2,1-2H3.
What are the key properties of 4-[2-(chloromethyl)phenyl]-1-methoxy-2-methylbenzene?
4-[2-(chloromethyl)phenyl]-1-methoxy-2-methylbenzene has a molecular weight of 246.74 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(chloromethyl)phenyl]-1-methoxy-2-methylbenzene is sourced from PubChem (CID 126696020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).