1,2-dichloro-3-[chloro-(2-ethoxy-5-methylphenyl)methyl]benzene

C16H15Cl3O — CID 63443873

IUPAC1,2-dichloro-3-[chloro-(2-ethoxy-5-methylphenyl)methyl]benzene
SMILESCCOc1ccc(C)cc1C(Cl)c1cccc(Cl)c1Cl
InChIInChI=1S/C16H15Cl3O/c1-3-20-14-8-7-10(2)9-12(14)15(18)11-5-4-6-13(17)16(11)19/h4-9,15H,3H2,1-2H3
InChIKeyWYRVICGTUALIKD-UHFFFAOYSA-N
MW329.65 g/mol
LogP6.03
Rot. Bonds4

About 1,2-dichloro-3-[chloro-(2-ethoxy-5-methylphenyl)methyl]benzene

1,2-dichloro-3-[chloro-(2-ethoxy-5-methylphenyl)methyl]benzene (PubChem CID 63443873) has the molecular formula C16H15Cl3O and a molecular weight of 329.65 g/mol. Its IUPAC name is 1,2-dichloro-3-[chloro-(2-ethoxy-5-methylphenyl)methyl]benzene.

Molecular Properties

Compound Name1,2-dichloro-3-[chloro-(2-ethoxy-5-methylphenyl)methyl]benzene
PubChem CID63443873
Molecular FormulaC16H15Cl3O
Molecular Weight329.65 g/mol
Exact Mass328.02
IUPAC Name1,2-dichloro-3-[chloro-(2-ethoxy-5-methylphenyl)methyl]benzene
SMILESCCOc1ccc(C)cc1C(Cl)c1cccc(Cl)c1Cl
InChIInChI=1S/C16H15Cl3O/c1-3-20-14-8-7-10(2)9-12(14)15(18)11-5-4-6-13(17)16(11)19/h4-9,15H,3H2,1-2H3
InChIKeyWYRVICGTUALIKD-UHFFFAOYSA-N
XLogP6.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.65
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,2-dichloro-3-[chloro-(2-ethoxy-5-methylphenyl)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

2-[chloro-(2-methylsulfanylphenyl)methyl]-1-ethoxy-4-methylbenzene
CID 79206729
(3-chloro-2-fluorophenyl)-(2-ethoxy-5-methylphenyl)methanol
CID 81266896
1-[(5-bromo-2-ethoxyphenyl)-chloromethyl]-2-chloro-3-fluorobenzene
CID 81461836
2-chloro-4-[chloro-(2-ethoxy-5-methylphenyl)methyl]-1-fluorobenzene
CID 82879816
1-chloro-2-[2-chloro-2-(2-ethoxy-5-methylphenyl)ethyl]-3-fluorobenzene
CID 63447690
2-(1-chloropropyl)-1-ethoxy-4-methylbenzene
CID 62302672
2-[chloro-(2-ethoxy-5-methylphenyl)methyl]-4-fluoro-1-methylbenzene
CID 63444048
2-[1-bromo-2-(2-chlorophenyl)ethyl]-1-ethoxy-4-methylbenzene
CID 63447650
1,4-dichloro-2-[chloro-(2-chloro-4-methylphenyl)methyl]-5-ethoxybenzene
CID 106863254
(1R)-1-[2-[(2,3-dichlorophenyl)methoxy]-5-methylphenyl]ethanol
CID 107306824
1-[chloro-(2-ethoxy-5-methylphenyl)methyl]-2-fluoro-4-methoxybenzene
CID 102884602
1-[(3-bromo-4-ethoxyphenyl)-chloromethyl]-2-chloro-3-methylbenzene
CID 104661490

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-3-[chloro-(2-ethoxy-5-methylphenyl)methyl]benzene?
The IUPAC name of 1,2-dichloro-3-[chloro-(2-ethoxy-5-methylphenyl)methyl]benzene (CID 63443873) is 1,2-dichloro-3-[chloro-(2-ethoxy-5-methylphenyl)methyl]benzene.
What is the SMILES notation for 1,2-dichloro-3-[chloro-(2-ethoxy-5-methylphenyl)methyl]benzene?
The canonical SMILES for 1,2-dichloro-3-[chloro-(2-ethoxy-5-methylphenyl)methyl]benzene is CCOc1ccc(C)cc1C(Cl)c1cccc(Cl)c1Cl.
What is the InChIKey of 1,2-dichloro-3-[chloro-(2-ethoxy-5-methylphenyl)methyl]benzene?
The InChIKey is WYRVICGTUALIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl3O/c1-3-20-14-8-7-10(2)9-12(14)15(18)11-5-4-6-13(17)16(11)19/h4-9,15H,3H2,1-2H3.
What are the key properties of 1,2-dichloro-3-[chloro-(2-ethoxy-5-methylphenyl)methyl]benzene?
1,2-dichloro-3-[chloro-(2-ethoxy-5-methylphenyl)methyl]benzene has a molecular weight of 329.65 g/mol, XLogP of 6.03, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-3-[chloro-(2-ethoxy-5-methylphenyl)methyl]benzene is sourced from PubChem (CID 63443873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).