2-chloro-1-(1-chloro-2-phenylethyl)-4-methoxybenzene

C15H14Cl2O — CID 63434208

IUPAC2-chloro-1-(1-chloro-2-phenylethyl)-4-methoxybenzene
SMILESCOc1ccc(C(Cl)Cc2ccccc2)c(Cl)c1
InChIInChI=1S/C15H14Cl2O/c1-18-12-7-8-13(15(17)10-12)14(16)9-11-5-3-2-4-6-11/h2-8,10,14H,9H2,1H3
InChIKeyMZIYIRMCSJHAHQ-UHFFFAOYSA-N
MW281.18 g/mol
LogP4.87
Rot. Bonds4

About 2-chloro-1-(1-chloro-2-phenylethyl)-4-methoxybenzene

2-chloro-1-(1-chloro-2-phenylethyl)-4-methoxybenzene (PubChem CID 63434208) has the molecular formula C15H14Cl2O and a molecular weight of 281.18 g/mol. Its IUPAC name is 2-chloro-1-(1-chloro-2-phenylethyl)-4-methoxybenzene.

Molecular Properties

Compound Name2-chloro-1-(1-chloro-2-phenylethyl)-4-methoxybenzene
PubChem CID63434208
Molecular FormulaC15H14Cl2O
Molecular Weight281.18 g/mol
Exact Mass280.04
IUPAC Name2-chloro-1-(1-chloro-2-phenylethyl)-4-methoxybenzene
SMILESCOc1ccc(C(Cl)Cc2ccccc2)c(Cl)c1
InChIInChI=1S/C15H14Cl2O/c1-18-12-7-8-13(15(17)10-12)14(16)9-11-5-3-2-4-6-11/h2-8,10,14H,9H2,1H3
InChIKeyMZIYIRMCSJHAHQ-UHFFFAOYSA-N
XLogP4.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.18
LogP ≤ 54.87
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

2-chloro-1-[1-chloro-2-(3-methoxyphenyl)ethyl]-4-methoxybenzene
CID 63434678
2-chloro-1-[1-chloro-2-(3-chlorophenyl)ethyl]-4-methoxybenzene
CID 63434211
2-chloro-1-[1-chloro-2-(2-fluorophenyl)ethyl]-4-methoxybenzene
CID 63434335
2-chloro-1-[1-chloro-3-(4-methoxyphenyl)propyl]-4-methoxybenzene
CID 63434589
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
1-(2-chloro-4-methoxyphenyl)-N-methyl-3-phenylpropan-1-amine
CID 43561916
1-[1-chloro-2-(4-methoxyphenyl)ethyl]-2-methoxybenzene
CID 55149546
2-chloro-1-(1-chloro-2-phenylbutyl)-4-methoxybenzene
CID 63434336
chloro-(2-chloro-4-methoxyphenyl)methanamine
CID 116947787
(2-chloro-4-methoxyphenyl)-(2-chlorophenyl)methanol
CID 61081100
(2-chloro-4-methoxyphenyl)methanediamine
CID 116939187

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(1-chloro-2-phenylethyl)-4-methoxybenzene?
The IUPAC name of 2-chloro-1-(1-chloro-2-phenylethyl)-4-methoxybenzene (CID 63434208) is 2-chloro-1-(1-chloro-2-phenylethyl)-4-methoxybenzene.
What is the SMILES notation for 2-chloro-1-(1-chloro-2-phenylethyl)-4-methoxybenzene?
The canonical SMILES for 2-chloro-1-(1-chloro-2-phenylethyl)-4-methoxybenzene is COc1ccc(C(Cl)Cc2ccccc2)c(Cl)c1.
What is the InChIKey of 2-chloro-1-(1-chloro-2-phenylethyl)-4-methoxybenzene?
The InChIKey is MZIYIRMCSJHAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2O/c1-18-12-7-8-13(15(17)10-12)14(16)9-11-5-3-2-4-6-11/h2-8,10,14H,9H2,1H3.
What are the key properties of 2-chloro-1-(1-chloro-2-phenylethyl)-4-methoxybenzene?
2-chloro-1-(1-chloro-2-phenylethyl)-4-methoxybenzene has a molecular weight of 281.18 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(1-chloro-2-phenylethyl)-4-methoxybenzene is sourced from PubChem (CID 63434208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).