2-chloro-1-[1-chloro-2-(3-methoxyphenyl)ethyl]-4-methoxybenzene

C16H16Cl2O2 — CID 63434678

IUPAC2-chloro-1-[1-chloro-2-(3-methoxyphenyl)ethyl]-4-methoxybenzene
SMILESCOc1cccc(CC(Cl)c2ccc(OC)cc2Cl)c1
InChIInChI=1S/C16H16Cl2O2/c1-19-12-5-3-4-11(8-12)9-15(17)14-7-6-13(20-2)10-16(14)18/h3-8,10,15H,9H2,1-2H3
InChIKeyVNUITZCZEKVFBG-UHFFFAOYSA-N
MW311.21 g/mol
LogP4.88
Rot. Bonds5

About 2-chloro-1-[1-chloro-2-(3-methoxyphenyl)ethyl]-4-methoxybenzene

2-chloro-1-[1-chloro-2-(3-methoxyphenyl)ethyl]-4-methoxybenzene (PubChem CID 63434678) has the molecular formula C16H16Cl2O2 and a molecular weight of 311.21 g/mol. Its IUPAC name is 2-chloro-1-[1-chloro-2-(3-methoxyphenyl)ethyl]-4-methoxybenzene.

Molecular Properties

Compound Name2-chloro-1-[1-chloro-2-(3-methoxyphenyl)ethyl]-4-methoxybenzene
PubChem CID63434678
Molecular FormulaC16H16Cl2O2
Molecular Weight311.21 g/mol
Exact Mass310.05
IUPAC Name2-chloro-1-[1-chloro-2-(3-methoxyphenyl)ethyl]-4-methoxybenzene
SMILESCOc1cccc(CC(Cl)c2ccc(OC)cc2Cl)c1
InChIInChI=1S/C16H16Cl2O2/c1-19-12-5-3-4-11(8-12)9-15(17)14-7-6-13(20-2)10-16(14)18/h3-8,10,15H,9H2,1-2H3
InChIKeyVNUITZCZEKVFBG-UHFFFAOYSA-N
XLogP4.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 54.88
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

2-chloro-1-[1-chloro-2-(3-chlorophenyl)ethyl]-4-methoxybenzene
CID 63434211
2-chloro-1-(1-chloro-2-phenylethyl)-4-methoxybenzene
CID 63434208
1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2-chloro-4-methoxybenzene
CID 63443659
1-[1-chloro-2-(3-methoxyphenyl)ethyl]-2-fluoro-4-methoxybenzene
CID 61084057
2-chloro-1-[1-chloro-2-(2-fluorophenyl)ethyl]-4-methoxybenzene
CID 63434335
1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2,4-dichlorobenzene
CID 63444300
3-chloro-2-[1-chloro-2-(3-methoxyphenyl)ethyl]thiophene
CID 80530538
1-bromo-2-chloro-4-[1-chloro-2-(3-methoxyphenyl)ethyl]benzene
CID 81307279
1,4-dibromo-2-[1-chloro-2-(3-methoxyphenyl)ethyl]-5-methylbenzene
CID 81474199
2-chloro-1-[1-chloro-3-(4-methoxyphenyl)propyl]-4-methoxybenzene
CID 63434589
1-chloro-2-(3-methoxyphenyl)ethanamine
CID 67681258
1-[2-chloro-2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxybenzene
CID 63017955

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[1-chloro-2-(3-methoxyphenyl)ethyl]-4-methoxybenzene?
The IUPAC name of 2-chloro-1-[1-chloro-2-(3-methoxyphenyl)ethyl]-4-methoxybenzene (CID 63434678) is 2-chloro-1-[1-chloro-2-(3-methoxyphenyl)ethyl]-4-methoxybenzene.
What is the SMILES notation for 2-chloro-1-[1-chloro-2-(3-methoxyphenyl)ethyl]-4-methoxybenzene?
The canonical SMILES for 2-chloro-1-[1-chloro-2-(3-methoxyphenyl)ethyl]-4-methoxybenzene is COc1cccc(CC(Cl)c2ccc(OC)cc2Cl)c1.
What is the InChIKey of 2-chloro-1-[1-chloro-2-(3-methoxyphenyl)ethyl]-4-methoxybenzene?
The InChIKey is VNUITZCZEKVFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2O2/c1-19-12-5-3-4-11(8-12)9-15(17)14-7-6-13(20-2)10-16(14)18/h3-8,10,15H,9H2,1-2H3.
What are the key properties of 2-chloro-1-[1-chloro-2-(3-methoxyphenyl)ethyl]-4-methoxybenzene?
2-chloro-1-[1-chloro-2-(3-methoxyphenyl)ethyl]-4-methoxybenzene has a molecular weight of 311.21 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[1-chloro-2-(3-methoxyphenyl)ethyl]-4-methoxybenzene is sourced from PubChem (CID 63434678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).