1,2-dichloro-4-[2-chloro-2-(2,5-dimethoxyphenyl)ethyl]benzene

C16H15Cl3O2 — CID 63429579

IUPAC1,2-dichloro-4-[2-chloro-2-(2,5-dimethoxyphenyl)ethyl]benzene
SMILESCOc1ccc(OC)c(C(Cl)Cc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C16H15Cl3O2/c1-20-11-4-6-16(21-2)12(9-11)14(18)7-10-3-5-13(17)15(19)8-10/h3-6,8-9,14H,7H2,1-2H3
InChIKeyDIMURPGKRXGCCZ-UHFFFAOYSA-N
MW345.65 g/mol
LogP5.53
Rot. Bonds5

About 1,2-dichloro-4-[2-chloro-2-(2,5-dimethoxyphenyl)ethyl]benzene

1,2-dichloro-4-[2-chloro-2-(2,5-dimethoxyphenyl)ethyl]benzene (PubChem CID 63429579) has the molecular formula C16H15Cl3O2 and a molecular weight of 345.65 g/mol. Its IUPAC name is 1,2-dichloro-4-[2-chloro-2-(2,5-dimethoxyphenyl)ethyl]benzene.

Molecular Properties

Compound Name1,2-dichloro-4-[2-chloro-2-(2,5-dimethoxyphenyl)ethyl]benzene
PubChem CID63429579
Molecular FormulaC16H15Cl3O2
Molecular Weight345.65 g/mol
Exact Mass344.01
IUPAC Name1,2-dichloro-4-[2-chloro-2-(2,5-dimethoxyphenyl)ethyl]benzene
SMILESCOc1ccc(OC)c(C(Cl)Cc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C16H15Cl3O2/c1-20-11-4-6-16(21-2)12(9-11)14(18)7-10-3-5-13(17)15(19)8-10/h3-6,8-9,14H,7H2,1-2H3
InChIKeyDIMURPGKRXGCCZ-UHFFFAOYSA-N
XLogP5.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.65
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2-dichloro-4-[2-chloro-2-(3-chloro-4-methoxyphenyl)ethyl]benzene
CID 63431003
2-[1-chloro-2-(3,4-dichlorophenyl)ethyl]-1,3-difluoro-5-methoxybenzene
CID 63427176
1-[1-chloro-2-(4-methoxyphenyl)ethyl]-2-methoxybenzene
CID 55149546
4-bromo-2-[1-chloro-2-(3,4-dichlorophenyl)ethyl]-1-ethoxybenzene
CID 63434482
2-chloro-1-[1-chloro-2-(3-methoxyphenyl)ethyl]-4-methoxybenzene
CID 63434678
2-(dichloromethyl)-1,4-dimethoxybenzene
CID 23431965
3-(3,4-dichlorophenyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 133219990
2-(3,4-dichlorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanol
CID 63047363
2-[2-chloro-2-(2,5-dimethoxyphenyl)ethyl]-1,4-dimethylbenzene
CID 63429457
2-(3,4-dichlorophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 62795612
1-(2-bromo-4-methoxyphenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 63502718
2-(1-chloropentyl)-1,4-dimethoxybenzene
CID 61084308

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-[2-chloro-2-(2,5-dimethoxyphenyl)ethyl]benzene?
The IUPAC name of 1,2-dichloro-4-[2-chloro-2-(2,5-dimethoxyphenyl)ethyl]benzene (CID 63429579) is 1,2-dichloro-4-[2-chloro-2-(2,5-dimethoxyphenyl)ethyl]benzene.
What is the SMILES notation for 1,2-dichloro-4-[2-chloro-2-(2,5-dimethoxyphenyl)ethyl]benzene?
The canonical SMILES for 1,2-dichloro-4-[2-chloro-2-(2,5-dimethoxyphenyl)ethyl]benzene is COc1ccc(OC)c(C(Cl)Cc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 1,2-dichloro-4-[2-chloro-2-(2,5-dimethoxyphenyl)ethyl]benzene?
The InChIKey is DIMURPGKRXGCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl3O2/c1-20-11-4-6-16(21-2)12(9-11)14(18)7-10-3-5-13(17)15(19)8-10/h3-6,8-9,14H,7H2,1-2H3.
What are the key properties of 1,2-dichloro-4-[2-chloro-2-(2,5-dimethoxyphenyl)ethyl]benzene?
1,2-dichloro-4-[2-chloro-2-(2,5-dimethoxyphenyl)ethyl]benzene has a molecular weight of 345.65 g/mol, XLogP of 5.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-[2-chloro-2-(2,5-dimethoxyphenyl)ethyl]benzene is sourced from PubChem (CID 63429579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).