4-chloro-2-[chloro-(2-ethoxyphenyl)methyl]-1-methoxybenzene

C16H16Cl2O2 — CID 104546392

IUPAC4-chloro-2-[chloro-(2-ethoxyphenyl)methyl]-1-methoxybenzene
SMILESCCOc1ccccc1C(Cl)c1cc(Cl)ccc1OC
InChIInChI=1S/C16H16Cl2O2/c1-3-20-15-7-5-4-6-12(15)16(18)13-10-11(17)8-9-14(13)19-2/h4-10,16H,3H2,1-2H3
InChIKeyZIQQREMMVNHEDP-UHFFFAOYSA-N
MW311.21 g/mol
LogP5.08
Rot. Bonds5

About 4-chloro-2-[chloro-(2-ethoxyphenyl)methyl]-1-methoxybenzene

4-chloro-2-[chloro-(2-ethoxyphenyl)methyl]-1-methoxybenzene (PubChem CID 104546392) has the molecular formula C16H16Cl2O2 and a molecular weight of 311.21 g/mol. Its IUPAC name is 4-chloro-2-[chloro-(2-ethoxyphenyl)methyl]-1-methoxybenzene.

Molecular Properties

Compound Name4-chloro-2-[chloro-(2-ethoxyphenyl)methyl]-1-methoxybenzene
PubChem CID104546392
Molecular FormulaC16H16Cl2O2
Molecular Weight311.21 g/mol
Exact Mass310.05
IUPAC Name4-chloro-2-[chloro-(2-ethoxyphenyl)methyl]-1-methoxybenzene
SMILESCCOc1ccccc1C(Cl)c1cc(Cl)ccc1OC
InChIInChI=1S/C16H16Cl2O2/c1-3-20-15-7-5-4-6-12(15)16(18)13-10-11(17)8-9-14(13)19-2/h4-10,16H,3H2,1-2H3
InChIKeyZIQQREMMVNHEDP-UHFFFAOYSA-N
XLogP5.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.21
LogP ≤ 55.08
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

(5-chloro-2-methoxyphenyl)-(2-methoxyphenyl)methanamine
CID 55116277
(1R)-1-(5-chloro-2-methoxyphenyl)propan-1-amine;hydrochloride
CID 171215023
1-[chloro-(2-ethoxyphenyl)methyl]-4-propan-2-ylbenzene
CID 63435434
1-(5-chloro-2-methoxyphenyl)-2,2-diethoxyethanamine
CID 79495966
1-[(5-chloro-2-ethoxyphenyl)-(2-methoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 5021326
2-[(2-bromophenyl)-(5-chloro-2-methoxyphenyl)methyl]-4-chloro-1-methoxybenzene
CID 50999166
2-[(4-bromophenyl)-chloromethyl]-4-chloro-1-methoxybenzene
CID 63428998
1-[chloro-(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethylbenzene
CID 113425541
1-[(5-chloro-2-ethoxyphenyl)-(2-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 3561006
1-[chloro-(5-chloro-2-methoxyphenyl)methyl]-2-fluoro-4-methylbenzene
CID 104546404
1-(5-chloro-2-methylphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 115853667
(5-chloro-2-methoxyphenyl)-(2-ethoxyphenyl)methanone
CID 79020316

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[chloro-(2-ethoxyphenyl)methyl]-1-methoxybenzene?
The IUPAC name of 4-chloro-2-[chloro-(2-ethoxyphenyl)methyl]-1-methoxybenzene (CID 104546392) is 4-chloro-2-[chloro-(2-ethoxyphenyl)methyl]-1-methoxybenzene.
What is the SMILES notation for 4-chloro-2-[chloro-(2-ethoxyphenyl)methyl]-1-methoxybenzene?
The canonical SMILES for 4-chloro-2-[chloro-(2-ethoxyphenyl)methyl]-1-methoxybenzene is CCOc1ccccc1C(Cl)c1cc(Cl)ccc1OC.
What is the InChIKey of 4-chloro-2-[chloro-(2-ethoxyphenyl)methyl]-1-methoxybenzene?
The InChIKey is ZIQQREMMVNHEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2O2/c1-3-20-15-7-5-4-6-12(15)16(18)13-10-11(17)8-9-14(13)19-2/h4-10,16H,3H2,1-2H3.
What are the key properties of 4-chloro-2-[chloro-(2-ethoxyphenyl)methyl]-1-methoxybenzene?
4-chloro-2-[chloro-(2-ethoxyphenyl)methyl]-1-methoxybenzene has a molecular weight of 311.21 g/mol, XLogP of 5.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[chloro-(2-ethoxyphenyl)methyl]-1-methoxybenzene is sourced from PubChem (CID 104546392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).