1,2-dichloro-4-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]benzene

C16H15Cl3O2 — CID 29009783

IUPAC1,2-dichloro-4-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]benzene
SMILESCCOc1cc(CCl)ccc1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H15Cl3O2/c1-2-20-16-8-11(9-17)4-6-15(16)21-10-12-3-5-13(18)14(19)7-12/h3-8H,2,9-10H2,1H3
InChIKeyJBLQMUDWPLXXMK-UHFFFAOYSA-N
MW345.65 g/mol
LogP5.71
Rot. Bonds6

About 1,2-dichloro-4-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]benzene

1,2-dichloro-4-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]benzene (PubChem CID 29009783) has the molecular formula C16H15Cl3O2 and a molecular weight of 345.65 g/mol. Its IUPAC name is 1,2-dichloro-4-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]benzene.

Molecular Properties

Compound Name1,2-dichloro-4-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]benzene
PubChem CID29009783
Molecular FormulaC16H15Cl3O2
Molecular Weight345.65 g/mol
Exact Mass344.01
IUPAC Name1,2-dichloro-4-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]benzene
SMILESCCOc1cc(CCl)ccc1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H15Cl3O2/c1-2-20-16-8-11(9-17)4-6-15(16)21-10-12-3-5-13(18)14(19)7-12/h3-8H,2,9-10H2,1H3
InChIKeyJBLQMUDWPLXXMK-UHFFFAOYSA-N
XLogP5.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.65
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,2-dichloro-4-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]benzene 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

4-(chloromethyl)-1,2-diethoxybenzene
CID 2434831
4-[(3,4-dichlorophenyl)methoxy]-3-ethoxybenzenecarbothioamide
CID 20988291
3-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]prop-2-enoic acid
CID 4220929
prop-2-ynyl 4-[(3,4-dichlorophenyl)methoxy]-3-ethoxybenzoate
CID 91683453
1-[(2-bromophenyl)methoxy]-4-(chloromethyl)-2-ethoxybenzene
CID 28555321
2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]thiophene
CID 28535748
5-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]-2-methyltetrazole
CID 107044026
4-(chloromethyl)-2-ethoxy-1-heptoxybenzene
CID 43129653
N-[[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 51992842
1,2-dichloro-4-[[4-(chloromethyl)phenoxy]methyl]benzene
CID 22280207
4-chloro-N-[(E)-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]aniline
CID 110506076
4-bromo-2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]thiophene
CID 63535667

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]benzene?
The IUPAC name of 1,2-dichloro-4-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]benzene (CID 29009783) is 1,2-dichloro-4-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]benzene.
What is the SMILES notation for 1,2-dichloro-4-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]benzene?
The canonical SMILES for 1,2-dichloro-4-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]benzene is CCOc1cc(CCl)ccc1OCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1,2-dichloro-4-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]benzene?
The InChIKey is JBLQMUDWPLXXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl3O2/c1-2-20-16-8-11(9-17)4-6-15(16)21-10-12-3-5-13(18)14(19)7-12/h3-8H,2,9-10H2,1H3.
What are the key properties of 1,2-dichloro-4-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]benzene?
1,2-dichloro-4-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]benzene has a molecular weight of 345.65 g/mol, XLogP of 5.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]benzene is sourced from PubChem (CID 29009783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).