1-chloro-2-[2-chloro-2-[4-(2-methoxyethyl)phenyl]ethyl]benzene

C17H18Cl2O — CID 63429786

IUPAC1-chloro-2-[2-chloro-2-[4-(2-methoxyethyl)phenyl]ethyl]benzene
SMILESCOCCc1ccc(C(Cl)Cc2ccccc2Cl)cc1
InChIInChI=1S/C17H18Cl2O/c1-20-11-10-13-6-8-14(9-7-13)17(19)12-15-4-2-3-5-16(15)18/h2-9,17H,10-12H2,1H3
InChIKeyUVBKZPGWOKWPJN-UHFFFAOYSA-N
MW309.24 g/mol
LogP5.05
Rot. Bonds6

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

1-chloro-2-[2-chloro-2-[4-(2-methoxyethyl)phenyl]ethyl]benzene (PubChem CID 63429786) has the molecular formula C17H18Cl2O and a molecular weight of 309.24 g/mol. Its IUPAC name is 1-chloro-2-[2-chloro-2-[4-(2-methoxyethyl)phenyl]ethyl]benzene.

Molecular Properties

Compound Name1-chloro-2-[2-chloro-2-[4-(2-methoxyethyl)phenyl]ethyl]benzene
PubChem CID63429786
Molecular FormulaC17H18Cl2O
Molecular Weight309.24 g/mol
Exact Mass308.07
IUPAC Name1-chloro-2-[2-chloro-2-[4-(2-methoxyethyl)phenyl]ethyl]benzene
SMILESCOCCc1ccc(C(Cl)Cc2ccccc2Cl)cc1
InChIInChI=1S/C17H18Cl2O/c1-20-11-10-13-6-8-14(9-7-13)17(19)12-15-4-2-3-5-16(15)18/h2-9,17H,10-12H2,1H3
InChIKeyUVBKZPGWOKWPJN-UHFFFAOYSA-N
XLogP5.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.24
LogP ≤ 55.05
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-phenylethyl)-4-(2-methoxyethyl)benzene
CID 61085744
1-[1-chloro-2-(2-chlorophenyl)ethyl]-3,5-dimethoxybenzene
CID 63519326
1-[2-chloro-2-[4-(2-methoxyethyl)phenyl]ethyl]-3-methylbenzene
CID 63429653
1-(1-chloro-3,3,3-trifluoropropyl)-4-(2-methoxyethyl)benzene
CID 55134945
2-[1-chloro-2-(2-chlorophenyl)ethyl]naphthalene
CID 63520023
1-bromo-2-chloro-4-[1-chloro-2-(2-chlorophenyl)ethyl]benzene
CID 81307607
1-(3-chlorophenyl)-1-[4-(2-methoxyethyl)phenyl]-N-methylmethanamine
CID 43482400
(3-chloro-2-methylphenyl)-[4-(2-methoxyethyl)phenyl]methanol
CID 107098735
2-[(2-chlorophenyl)methyl]-5-methoxy-3-methylpentan-1-ol
CID 116500248
2-methoxyethylbenzene
CID 19089
(4-chlorophenyl)-[4-(2-methoxyethyl)phenyl]methanol
CID 55133393
1-chloro-2-[2-[2-[2-[1-(2-chlorophenyl)-3-methoxypropan-2-yl]oxyethoxy]ethoxy]-3-methoxypropyl]benzene
CID 142784737

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[2-chloro-2-[4-(2-methoxyethyl)phenyl]ethyl]benzene?
The IUPAC name of 1-chloro-2-[2-chloro-2-[4-(2-methoxyethyl)phenyl]ethyl]benzene (CID 63429786) is 1-chloro-2-[2-chloro-2-[4-(2-methoxyethyl)phenyl]ethyl]benzene.
What is the SMILES notation for 1-chloro-2-[2-chloro-2-[4-(2-methoxyethyl)phenyl]ethyl]benzene?
The canonical SMILES for 1-chloro-2-[2-chloro-2-[4-(2-methoxyethyl)phenyl]ethyl]benzene is COCCc1ccc(C(Cl)Cc2ccccc2Cl)cc1.
What is the InChIKey of 1-chloro-2-[2-chloro-2-[4-(2-methoxyethyl)phenyl]ethyl]benzene?
The InChIKey is UVBKZPGWOKWPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2O/c1-20-11-10-13-6-8-14(9-7-13)17(19)12-15-4-2-3-5-16(15)18/h2-9,17H,10-12H2,1H3.
What are the key properties of 1-chloro-2-[2-chloro-2-[4-(2-methoxyethyl)phenyl]ethyl]benzene?
1-chloro-2-[2-chloro-2-[4-(2-methoxyethyl)phenyl]ethyl]benzene has a molecular weight of 309.24 g/mol, XLogP of 5.05, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[2-chloro-2-[4-(2-methoxyethyl)phenyl]ethyl]benzene is sourced from PubChem (CID 63429786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).