1-[1-chloro-2-(2-chlorophenyl)ethyl]-3,5-dimethoxybenzene

C16H16Cl2O2 — CID 63519326

IUPAC1-[1-chloro-2-(2-chlorophenyl)ethyl]-3,5-dimethoxybenzene
SMILESCOc1cc(OC)cc(C(Cl)Cc2ccccc2Cl)c1
InChIInChI=1S/C16H16Cl2O2/c1-19-13-7-12(8-14(10-13)20-2)16(18)9-11-5-3-4-6-15(11)17/h3-8,10,16H,9H2,1-2H3
InChIKeyVYXRBBOZXPAZEO-UHFFFAOYSA-N
MW311.21 g/mol
LogP4.88
Rot. Bonds5

About 1-[1-chloro-2-(2-chlorophenyl)ethyl]-3,5-dimethoxybenzene

1-[1-chloro-2-(2-chlorophenyl)ethyl]-3,5-dimethoxybenzene (PubChem CID 63519326) has the molecular formula C16H16Cl2O2 and a molecular weight of 311.21 g/mol. Its IUPAC name is 1-[1-chloro-2-(2-chlorophenyl)ethyl]-3,5-dimethoxybenzene.

Molecular Properties

Compound Name1-[1-chloro-2-(2-chlorophenyl)ethyl]-3,5-dimethoxybenzene
PubChem CID63519326
Molecular FormulaC16H16Cl2O2
Molecular Weight311.21 g/mol
Exact Mass310.05
IUPAC Name1-[1-chloro-2-(2-chlorophenyl)ethyl]-3,5-dimethoxybenzene
SMILESCOc1cc(OC)cc(C(Cl)Cc2ccccc2Cl)c1
InChIInChI=1S/C16H16Cl2O2/c1-19-13-7-12(8-14(10-13)20-2)16(18)9-11-5-3-4-6-15(11)17/h3-8,10,16H,9H2,1-2H3
InChIKeyVYXRBBOZXPAZEO-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-[1-chloro-2-(2-chlorophenyl)ethyl]naphthalene
CID 63520023
1-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-3,5-dimethoxybenzene
CID 63543209
1-chloro-2-[2-chloro-2-[4-(2-methoxyethyl)phenyl]ethyl]benzene
CID 63429786
(2R)-1-(2-chlorophenyl)-N-[1-(3-methoxyphenyl)ethyl]propan-2-amine
CID 175732345
1-bromo-2-chloro-4-[1-chloro-2-(2-chlorophenyl)ethyl]benzene
CID 81307607
2-(2-chlorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanol
CID 61080545
2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,4-dimethoxybenzene
CID 63437142
1-(2-chlorophenyl)-3-(4-methoxyphenyl)propan-2-ol
CID 61373626
2-chloro-1-[1-chloro-2-(2-fluorophenyl)ethyl]-4-methoxybenzene
CID 63434335
2-(2-chlorophenyl)-1-(4-methoxy-3-methylphenyl)ethanol
CID 61081069
1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)ethanamine
CID 79698284
2-[2-chloro-2-(3,5-dimethoxyphenyl)ethyl]-5-methylpyridine
CID 66460220

Frequently Asked Questions

What is the IUPAC name of 1-[1-chloro-2-(2-chlorophenyl)ethyl]-3,5-dimethoxybenzene?
The IUPAC name of 1-[1-chloro-2-(2-chlorophenyl)ethyl]-3,5-dimethoxybenzene (CID 63519326) is 1-[1-chloro-2-(2-chlorophenyl)ethyl]-3,5-dimethoxybenzene.
What is the SMILES notation for 1-[1-chloro-2-(2-chlorophenyl)ethyl]-3,5-dimethoxybenzene?
The canonical SMILES for 1-[1-chloro-2-(2-chlorophenyl)ethyl]-3,5-dimethoxybenzene is COc1cc(OC)cc(C(Cl)Cc2ccccc2Cl)c1.
What is the InChIKey of 1-[1-chloro-2-(2-chlorophenyl)ethyl]-3,5-dimethoxybenzene?
The InChIKey is VYXRBBOZXPAZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2O2/c1-19-13-7-12(8-14(10-13)20-2)16(18)9-11-5-3-4-6-15(11)17/h3-8,10,16H,9H2,1-2H3.
What are the key properties of 1-[1-chloro-2-(2-chlorophenyl)ethyl]-3,5-dimethoxybenzene?
1-[1-chloro-2-(2-chlorophenyl)ethyl]-3,5-dimethoxybenzene 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 1-[1-chloro-2-(2-chlorophenyl)ethyl]-3,5-dimethoxybenzene is sourced from PubChem (CID 63519326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).