1-[2-(chloromethyl)-3-ethoxypropyl]-2-methoxybenzene

C13H19ClO2 — CID 103985134

IUPAC1-[2-(chloromethyl)-3-ethoxypropyl]-2-methoxybenzene
SMILESCCOCC(CCl)Cc1ccccc1OC
InChIInChI=1S/C13H19ClO2/c1-3-16-10-11(9-14)8-12-6-4-5-7-13(12)15-2/h4-7,11H,3,8-10H2,1-2H3
InChIKeyOYVKPCVMQNWURH-UHFFFAOYSA-N
MW242.75 g/mol
LogP3.13
Rot. Bonds7

About 1-[2-(chloromethyl)-3-ethoxypropyl]-2-methoxybenzene

1-[2-(chloromethyl)-3-ethoxypropyl]-2-methoxybenzene (PubChem CID 103985134) has the molecular formula C13H19ClO2 and a molecular weight of 242.75 g/mol. Its IUPAC name is 1-[2-(chloromethyl)-3-ethoxypropyl]-2-methoxybenzene.

Molecular Properties

Compound Name1-[2-(chloromethyl)-3-ethoxypropyl]-2-methoxybenzene
PubChem CID103985134
Molecular FormulaC13H19ClO2
Molecular Weight242.75 g/mol
Exact Mass242.11
IUPAC Name1-[2-(chloromethyl)-3-ethoxypropyl]-2-methoxybenzene
SMILESCCOCC(CCl)Cc1ccccc1OC
InChIInChI=1S/C13H19ClO2/c1-3-16-10-11(9-14)8-12-6-4-5-7-13(12)15-2/h4-7,11H,3,8-10H2,1-2H3
InChIKeyOYVKPCVMQNWURH-UHFFFAOYSA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[2-(chloromethyl)-3-ethoxypropyl]-2-methoxybenzene 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

2-(ethoxymethyl)-3-(2-methoxyphenyl)propan-1-ol
CID 103985033
1-[2-(chloromethyl)butyl]-2-methoxybenzene
CID 66035902
1-[2-(chloromethyl)pentyl]-2-methoxybenzene
CID 66034984
1-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]-2-methoxybenzene
CID 66033709
3-[2-(chloromethyl)-3-(2-methoxyphenyl)propyl]furan
CID 83182238
1-[2-(chloromethyl)-4-propylsulfonylbutyl]-2-methoxybenzene
CID 106734545
3-chloro-4-[2-(chloromethyl)-3-(2-methoxyphenyl)propyl]pyridine
CID 66048175
3-[2-(chloromethyl)-3-(2-methoxyphenyl)propyl]-1-methylpyrazole
CID 82871632
4-bromo-2-[2-(chloromethyl)-3-(2-methoxyphenyl)propyl]-1-fluorobenzene
CID 66049693
1-(2-ethylhexyl)-2-methoxybenzene
CID 160716483
2-[(2-methoxyphenyl)methyl]-N-methylbutan-1-amine
CID 62530565
1-bromo-4-[1-chloro-3-(2-methoxyphenyl)propan-2-yl]benzene
CID 79434338

Frequently Asked Questions

What is the IUPAC name of 1-[2-(chloromethyl)-3-ethoxypropyl]-2-methoxybenzene?
The IUPAC name of 1-[2-(chloromethyl)-3-ethoxypropyl]-2-methoxybenzene (CID 103985134) is 1-[2-(chloromethyl)-3-ethoxypropyl]-2-methoxybenzene.
What is the SMILES notation for 1-[2-(chloromethyl)-3-ethoxypropyl]-2-methoxybenzene?
The canonical SMILES for 1-[2-(chloromethyl)-3-ethoxypropyl]-2-methoxybenzene is CCOCC(CCl)Cc1ccccc1OC.
What is the InChIKey of 1-[2-(chloromethyl)-3-ethoxypropyl]-2-methoxybenzene?
The InChIKey is OYVKPCVMQNWURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO2/c1-3-16-10-11(9-14)8-12-6-4-5-7-13(12)15-2/h4-7,11H,3,8-10H2,1-2H3.
What are the key properties of 1-[2-(chloromethyl)-3-ethoxypropyl]-2-methoxybenzene?
1-[2-(chloromethyl)-3-ethoxypropyl]-2-methoxybenzene has a molecular weight of 242.75 g/mol, XLogP of 3.13, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(chloromethyl)-3-ethoxypropyl]-2-methoxybenzene is sourced from PubChem (CID 103985134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).