1,4-dichloro-2-[chloro-(2-chloro-4-methylphenyl)methyl]-5-ethoxybenzene

C16H14Cl4O — CID 106863254

IUPAC1,4-dichloro-2-[chloro-(2-chloro-4-methylphenyl)methyl]-5-ethoxybenzene
SMILESCCOc1cc(Cl)c(C(Cl)c2ccc(C)cc2Cl)cc1Cl
InChIInChI=1S/C16H14Cl4O/c1-3-21-15-8-13(18)11(7-14(15)19)16(20)10-5-4-9(2)6-12(10)17/h4-8,16H,3H2,1-2H3
InChIKeyQUJVDSCKOQLUSN-UHFFFAOYSA-N
MW364.10 g/mol
LogP6.68
Rot. Bonds4

About 1,4-dichloro-2-[chloro-(2-chloro-4-methylphenyl)methyl]-5-ethoxybenzene

1,4-dichloro-2-[chloro-(2-chloro-4-methylphenyl)methyl]-5-ethoxybenzene (PubChem CID 106863254) has the molecular formula C16H14Cl4O and a molecular weight of 364.10 g/mol. Its IUPAC name is 1,4-dichloro-2-[chloro-(2-chloro-4-methylphenyl)methyl]-5-ethoxybenzene.

Molecular Properties

Compound Name1,4-dichloro-2-[chloro-(2-chloro-4-methylphenyl)methyl]-5-ethoxybenzene
PubChem CID106863254
Molecular FormulaC16H14Cl4O
Molecular Weight364.10 g/mol
Exact Mass361.98
IUPAC Name1,4-dichloro-2-[chloro-(2-chloro-4-methylphenyl)methyl]-5-ethoxybenzene
SMILESCCOc1cc(Cl)c(C(Cl)c2ccc(C)cc2Cl)cc1Cl
InChIInChI=1S/C16H14Cl4O/c1-3-21-15-8-13(18)11(7-14(15)19)16(20)10-5-4-9(2)6-12(10)17/h4-8,16H,3H2,1-2H3
InChIKeyQUJVDSCKOQLUSN-UHFFFAOYSA-N
XLogP6.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.10
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-bromo-3-methylphenyl)-chloromethyl]-2,5-dichloro-4-ethoxybenzene
CID 107983624
1-[chloro-(2-chloro-4-methylphenyl)methyl]-2,4-dimethylbenzene
CID 106862883
1,2-dichloro-3-[chloro-(2-ethoxy-5-methylphenyl)methyl]benzene
CID 63443873
1,4-dichloro-2-ethoxy-5-methylbenzene
CID 18335146
1-(1-bromo-2,2-difluoroethyl)-2,5-dichloro-4-ethoxybenzene
CID 103514645
diethyl 2-(2-chloro-4-methylphenyl)propanedioate
CID 86045274
2-[chloro-(2-ethoxy-5-methylphenyl)methyl]-4-fluoro-1-methylbenzene
CID 63444048
2-(1-chloropropyl)-1-ethoxy-4-methylbenzene
CID 62302672
1-chloro-2-[2-[2-(4-ethoxyphenoxy)ethoxy]ethoxy]-4-methylbenzene
CID 2284223
2-chloro-1-(2,2-diethoxyethoxy)-4-methylbenzene
CID 63628940
1-[chloro-(2-chloro-4-methylphenyl)methyl]-4-methylnaphthalene
CID 106863171
1-[chloro-(2-chloro-4-methylphenyl)methyl]-2,4-difluoro-5-methylbenzene
CID 106863202

Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2-[chloro-(2-chloro-4-methylphenyl)methyl]-5-ethoxybenzene?
The IUPAC name of 1,4-dichloro-2-[chloro-(2-chloro-4-methylphenyl)methyl]-5-ethoxybenzene (CID 106863254) is 1,4-dichloro-2-[chloro-(2-chloro-4-methylphenyl)methyl]-5-ethoxybenzene.
What is the SMILES notation for 1,4-dichloro-2-[chloro-(2-chloro-4-methylphenyl)methyl]-5-ethoxybenzene?
The canonical SMILES for 1,4-dichloro-2-[chloro-(2-chloro-4-methylphenyl)methyl]-5-ethoxybenzene is CCOc1cc(Cl)c(C(Cl)c2ccc(C)cc2Cl)cc1Cl.
What is the InChIKey of 1,4-dichloro-2-[chloro-(2-chloro-4-methylphenyl)methyl]-5-ethoxybenzene?
The InChIKey is QUJVDSCKOQLUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl4O/c1-3-21-15-8-13(18)11(7-14(15)19)16(20)10-5-4-9(2)6-12(10)17/h4-8,16H,3H2,1-2H3.
What are the key properties of 1,4-dichloro-2-[chloro-(2-chloro-4-methylphenyl)methyl]-5-ethoxybenzene?
1,4-dichloro-2-[chloro-(2-chloro-4-methylphenyl)methyl]-5-ethoxybenzene has a molecular weight of 364.10 g/mol, XLogP of 6.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-2-[chloro-(2-chloro-4-methylphenyl)methyl]-5-ethoxybenzene is sourced from PubChem (CID 106863254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).