1-chloro-4-[2-chloro-2-(2-methoxyphenyl)ethyl]benzene

C15H14Cl2O — CID 63543868

IUPAC1-chloro-4-[2-chloro-2-(2-methoxyphenyl)ethyl]benzene
SMILESCOc1ccccc1C(Cl)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H14Cl2O/c1-18-15-5-3-2-4-13(15)14(17)10-11-6-8-12(16)9-7-11/h2-9,14H,10H2,1H3
InChIKeySSPBPWVFLJURIA-UHFFFAOYSA-N
MW281.18 g/mol
LogP4.87
Rot. Bonds4

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

1-chloro-4-[2-chloro-2-(2-methoxyphenyl)ethyl]benzene (PubChem CID 63543868) has the molecular formula C15H14Cl2O and a molecular weight of 281.18 g/mol. Its IUPAC name is 1-chloro-4-[2-chloro-2-(2-methoxyphenyl)ethyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[2-chloro-2-(2-methoxyphenyl)ethyl]benzene
PubChem CID63543868
Molecular FormulaC15H14Cl2O
Molecular Weight281.18 g/mol
Exact Mass280.04
IUPAC Name1-chloro-4-[2-chloro-2-(2-methoxyphenyl)ethyl]benzene
SMILESCOc1ccccc1C(Cl)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H14Cl2O/c1-18-15-5-3-2-4-13(15)14(17)10-11-6-8-12(16)9-7-11/h2-9,14H,10H2,1H3
InChIKeySSPBPWVFLJURIA-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

1-[1-chloro-2-(4-methoxyphenyl)ethyl]-2-methoxybenzene
CID 55149546
1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-dimethoxybenzene
CID 63432776
4-bromo-2-[1-chloro-2-(4-chlorophenyl)ethyl]-1-methoxybenzene
CID 63427444
1-[2-(4-bromophenyl)-1-chloroethyl]-4-chloro-2-methoxybenzene
CID 63520054
4-chloro-1-[1-chloro-2-(2-methoxyphenyl)ethyl]-2-methoxybenzene
CID 63542835
2-(4-chlorophenyl)-1-(2,6-dimethoxyphenyl)ethanol
CID 63016764
1-[2-chloro-2-(2-ethoxyphenyl)ethyl]-4-fluorobenzene
CID 63543511
1-(2-amino-3-methoxyphenyl)-2-(4-chlorophenyl)ethanol
CID 107469515
2-(4-chlorophenyl)-1-(2-fluoro-3-methoxyphenyl)ethanol
CID 82807893
1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-dimethylbenzene
CID 113319615
4-chloro-2-[1-chloro-2-(3-fluorophenyl)ethyl]-1-methoxybenzene
CID 63542483
N-[(4-chlorophenyl)methyl]-1-(2-methoxyphenyl)propan-1-amine
CID 43435149

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[2-chloro-2-(2-methoxyphenyl)ethyl]benzene?
The IUPAC name of 1-chloro-4-[2-chloro-2-(2-methoxyphenyl)ethyl]benzene (CID 63543868) is 1-chloro-4-[2-chloro-2-(2-methoxyphenyl)ethyl]benzene.
What is the SMILES notation for 1-chloro-4-[2-chloro-2-(2-methoxyphenyl)ethyl]benzene?
The canonical SMILES for 1-chloro-4-[2-chloro-2-(2-methoxyphenyl)ethyl]benzene is COc1ccccc1C(Cl)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[2-chloro-2-(2-methoxyphenyl)ethyl]benzene?
The InChIKey is SSPBPWVFLJURIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2O/c1-18-15-5-3-2-4-13(15)14(17)10-11-6-8-12(16)9-7-11/h2-9,14H,10H2,1H3.
What are the key properties of 1-chloro-4-[2-chloro-2-(2-methoxyphenyl)ethyl]benzene?
1-chloro-4-[2-chloro-2-(2-methoxyphenyl)ethyl]benzene 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 1-chloro-4-[2-chloro-2-(2-methoxyphenyl)ethyl]benzene is sourced from PubChem (CID 63543868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).