2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]-4-fluoro-1-methylbenzene

C17H18ClFO2 — CID 105372168

IUPAC2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]-4-fluoro-1-methylbenzene
SMILESCCOc1cc(CCl)ccc1OCc1cc(F)ccc1C
InChIInChI=1S/C17H18ClFO2/c1-3-20-17-8-13(10-18)5-7-16(17)21-11-14-9-15(19)6-4-12(14)2/h4-9H,3,10-11H2,1-2H3
InChIKeyZHWMLGFTIZMQAG-UHFFFAOYSA-N
MW308.78 g/mol
LogP4.85
Rot. Bonds6

About 2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]-4-fluoro-1-methylbenzene

2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]-4-fluoro-1-methylbenzene (PubChem CID 105372168) has the molecular formula C17H18ClFO2 and a molecular weight of 308.78 g/mol. Its IUPAC name is 2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]-4-fluoro-1-methylbenzene.

Molecular Properties

Compound Name2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]-4-fluoro-1-methylbenzene
PubChem CID105372168
Molecular FormulaC17H18ClFO2
Molecular Weight308.78 g/mol
Exact Mass308.10
IUPAC Name2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]-4-fluoro-1-methylbenzene
SMILESCCOc1cc(CCl)ccc1OCc1cc(F)ccc1C
InChIInChI=1S/C17H18ClFO2/c1-3-20-17-8-13(10-18)5-7-16(17)21-11-14-9-15(19)6-4-12(14)2/h4-9H,3,10-11H2,1-2H3
InChIKeyZHWMLGFTIZMQAG-UHFFFAOYSA-N
XLogP4.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.78
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]-4-fluoro-1-methylbenzene 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

[3-ethoxy-4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]methanol
CID 105372050
4-(chloromethyl)-1,2-diethoxybenzene
CID 2434831
2-(chloromethyl)-1-[(2,5-dimethylphenyl)methoxy]-4-fluorobenzene
CID 107698706
1-[(2-bromophenyl)methoxy]-4-(chloromethyl)-2-ethoxybenzene
CID 28555321
1,3-dibromo-5-(chloromethyl)-2-[(5-fluoro-2-methylphenyl)methoxy]benzene
CID 107745450
[3-chloro-4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]methanamine
CID 105370190
[3-fluoro-4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]methanol
CID 107690953
1,2-dichloro-4-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]benzene
CID 29009783
4-(chloromethyl)-2-fluoro-1-[(2-methylphenyl)methoxy]benzene
CID 107691185
3-[(5-fluoro-2-methylphenyl)methoxy]-4-methoxyaniline
CID 105369714
2-[(2-ethoxyphenoxy)methyl]-1,4-difluorobenzene
CID 112842348
4-(chloromethyl)-1-[(3-fluorophenyl)methoxy]-2-methoxybenzene
CID 29053593

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]-4-fluoro-1-methylbenzene?
The IUPAC name of 2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]-4-fluoro-1-methylbenzene (CID 105372168) is 2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]-4-fluoro-1-methylbenzene.
What is the SMILES notation for 2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]-4-fluoro-1-methylbenzene?
The canonical SMILES for 2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]-4-fluoro-1-methylbenzene is CCOc1cc(CCl)ccc1OCc1cc(F)ccc1C.
What is the InChIKey of 2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]-4-fluoro-1-methylbenzene?
The InChIKey is ZHWMLGFTIZMQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFO2/c1-3-20-17-8-13(10-18)5-7-16(17)21-11-14-9-15(19)6-4-12(14)2/h4-9H,3,10-11H2,1-2H3.
What are the key properties of 2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]-4-fluoro-1-methylbenzene?
2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]-4-fluoro-1-methylbenzene has a molecular weight of 308.78 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]-4-fluoro-1-methylbenzene is sourced from PubChem (CID 105372168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).