2-(dichloromethyl)-1,4-dimethoxybenzene

C9H10Cl2O2 — CID 23431965

IUPAC2-(dichloromethyl)-1,4-dimethoxybenzene
SMILESCOc1ccc(OC)c(C(Cl)Cl)c1
InChIInChI=1S/C9H10Cl2O2/c1-12-6-3-4-8(13-2)7(5-6)9(10)11/h3-5,9H,1-2H3
InChIKeyPTWMJIAIGSFGPD-UHFFFAOYSA-N
MW221.08 g/mol
LogP3.18
Rot. Bonds3

About 2-(dichloromethyl)-1,4-dimethoxybenzene

2-(dichloromethyl)-1,4-dimethoxybenzene (PubChem CID 23431965) has the molecular formula C9H10Cl2O2 and a molecular weight of 221.08 g/mol. Its IUPAC name is 2-(dichloromethyl)-1,4-dimethoxybenzene.

Molecular Properties

Compound Name2-(dichloromethyl)-1,4-dimethoxybenzene
PubChem CID23431965
Molecular FormulaC9H10Cl2O2
Molecular Weight221.08 g/mol
Exact Mass220.01
IUPAC Name2-(dichloromethyl)-1,4-dimethoxybenzene
SMILESCOc1ccc(OC)c(C(Cl)Cl)c1
InChIInChI=1S/C9H10Cl2O2/c1-12-6-3-4-8(13-2)7(5-6)9(10)11/h3-5,9H,1-2H3
InChIKeyPTWMJIAIGSFGPD-UHFFFAOYSA-N
XLogP3.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.08
LogP ≤ 53.18
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

2,2-dichloro-1-(2,5-dimethoxyphenyl)ethanol
CID 164893079
1-chloro-1-(2,5-dimethoxyphenyl)-N-methylmethanamine
CID 116962039
2-(1-chloro-2-ethylbutyl)-1,4-dimethoxybenzene
CID 63429238
2-[chloro(phenyl)methyl]-1,4-dimethoxybenzene
CID 61083516
CID 174459800
CID 174459800
2-(1-isocyanoethyl)-1,4-dimethoxybenzene
CID 4538904
amino-(2,5-dimethoxyphenyl)methanol
CID 116939586
1-(2,5-dimethoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954299
2-[chloro-(4-iodophenyl)methyl]-1,4-dimethoxybenzene
CID 63429406
2-[chloro-(2,5-dimethoxyphenyl)methyl]-1,3,5-trimethylbenzene
CID 63429668
2-[chloro-(4-fluorophenyl)methyl]-1,4-dimethoxybenzene
CID 61085947
2-(1-chloropentyl)-1,4-dimethoxybenzene
CID 61084308

Frequently Asked Questions

What is the IUPAC name of 2-(dichloromethyl)-1,4-dimethoxybenzene?
The IUPAC name of 2-(dichloromethyl)-1,4-dimethoxybenzene (CID 23431965) is 2-(dichloromethyl)-1,4-dimethoxybenzene.
What is the SMILES notation for 2-(dichloromethyl)-1,4-dimethoxybenzene?
The canonical SMILES for 2-(dichloromethyl)-1,4-dimethoxybenzene is COc1ccc(OC)c(C(Cl)Cl)c1.
What is the InChIKey of 2-(dichloromethyl)-1,4-dimethoxybenzene?
The InChIKey is PTWMJIAIGSFGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2O2/c1-12-6-3-4-8(13-2)7(5-6)9(10)11/h3-5,9H,1-2H3.
What are the key properties of 2-(dichloromethyl)-1,4-dimethoxybenzene?
2-(dichloromethyl)-1,4-dimethoxybenzene has a molecular weight of 221.08 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dichloromethyl)-1,4-dimethoxybenzene is sourced from PubChem (CID 23431965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).