2-chloro-4-[2-[1-(3-chloro-4-ethoxyphenyl)-2-methylpropan-2-yl]oxy-2-methylpropyl]-1-ethoxybenzene

C24H32Cl2O3 — CID 57051118

IUPAC2-chloro-4-[2-[1-(3-chloro-4-ethoxyphenyl)-2-methylpropan-2-yl]oxy-2-methylpropyl]-1-ethoxybenzene
SMILESCCOc1ccc(CC(C)(C)OC(C)(C)Cc2ccc(OCC)c(Cl)c2)cc1Cl
InChIInChI=1S/C24H32Cl2O3/c1-7-27-21-11-9-17(13-19(21)25)15-23(3,4)29-24(5,6)16-18-10-12-22(28-8-2)20(26)14-18/h9-14H,7-8,15-16H2,1-6H3
InChIKeyUXTOAASZIQQPRH-UHFFFAOYSA-N
MW439.42 g/mol
LogP7.15
Rot. Bonds10

About 2-chloro-4-[2-[1-(3-chloro-4-ethoxyphenyl)-2-methylpropan-2-yl]oxy-2-methylpropyl]-1-ethoxybenzene

2-chloro-4-[2-[1-(3-chloro-4-ethoxyphenyl)-2-methylpropan-2-yl]oxy-2-methylpropyl]-1-ethoxybenzene (PubChem CID 57051118) has the molecular formula C24H32Cl2O3 and a molecular weight of 439.42 g/mol. Its IUPAC name is 2-chloro-4-[2-[1-(3-chloro-4-ethoxyphenyl)-2-methylpropan-2-yl]oxy-2-methylpropyl]-1-ethoxybenzene.

Molecular Properties

Compound Name2-chloro-4-[2-[1-(3-chloro-4-ethoxyphenyl)-2-methylpropan-2-yl]oxy-2-methylpropyl]-1-ethoxybenzene
PubChem CID57051118
Molecular FormulaC24H32Cl2O3
Molecular Weight439.42 g/mol
Exact Mass438.17
IUPAC Name2-chloro-4-[2-[1-(3-chloro-4-ethoxyphenyl)-2-methylpropan-2-yl]oxy-2-methylpropyl]-1-ethoxybenzene
SMILESCCOc1ccc(CC(C)(C)OC(C)(C)Cc2ccc(OCC)c(Cl)c2)cc1Cl
InChIInChI=1S/C24H32Cl2O3/c1-7-27-21-11-9-17(13-19(21)25)15-23(3,4)29-24(5,6)16-18-10-12-22(28-8-2)20(26)14-18/h9-14H,7-8,15-16H2,1-6H3
InChIKeyUXTOAASZIQQPRH-UHFFFAOYSA-N
XLogP7.15
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.42
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chloro-4-ethoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride
CID 17156923
N-[(3-chloro-4-ethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine
CID 17158567
N-[(3-chloro-4-ethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride
CID 17158461
2-(3-chloro-4-ethoxyphenyl)propan-2-ol
CID 116963403
3-(3-chloro-4-ethoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170866526
N-[(3-chloro-4-ethoxyphenyl)methyl]prop-2-en-1-amine
CID 17157875
2-chloro-1-ethoxy-4-[(E)-3-methoxyprop-2-enyl]benzene
CID 171624959
3-(3-chloro-4-ethoxyphenyl)propanoic acid
CID 82052851
2-[(3-chloro-4-ethoxyphenyl)methyl]butan-1-ol
CID 116930771
N-(bromomethyl)-2-(3-chloro-4-ethoxyphenyl)ethanamine
CID 115262221
N-[(3-chloro-4-ethoxyphenyl)methyl]carbamoyl chloride
CID 115194640
1-[2-(3-chloro-4-ethoxyphenyl)ethyl]piperazine
CID 95472670

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[2-[1-(3-chloro-4-ethoxyphenyl)-2-methylpropan-2-yl]oxy-2-methylpropyl]-1-ethoxybenzene?
The IUPAC name of 2-chloro-4-[2-[1-(3-chloro-4-ethoxyphenyl)-2-methylpropan-2-yl]oxy-2-methylpropyl]-1-ethoxybenzene (CID 57051118) is 2-chloro-4-[2-[1-(3-chloro-4-ethoxyphenyl)-2-methylpropan-2-yl]oxy-2-methylpropyl]-1-ethoxybenzene.
What is the SMILES notation for 2-chloro-4-[2-[1-(3-chloro-4-ethoxyphenyl)-2-methylpropan-2-yl]oxy-2-methylpropyl]-1-ethoxybenzene?
The canonical SMILES for 2-chloro-4-[2-[1-(3-chloro-4-ethoxyphenyl)-2-methylpropan-2-yl]oxy-2-methylpropyl]-1-ethoxybenzene is CCOc1ccc(CC(C)(C)OC(C)(C)Cc2ccc(OCC)c(Cl)c2)cc1Cl.
What is the InChIKey of 2-chloro-4-[2-[1-(3-chloro-4-ethoxyphenyl)-2-methylpropan-2-yl]oxy-2-methylpropyl]-1-ethoxybenzene?
The InChIKey is UXTOAASZIQQPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32Cl2O3/c1-7-27-21-11-9-17(13-19(21)25)15-23(3,4)29-24(5,6)16-18-10-12-22(28-8-2)20(26)14-18/h9-14H,7-8,15-16H2,1-6H3.
What are the key properties of 2-chloro-4-[2-[1-(3-chloro-4-ethoxyphenyl)-2-methylpropan-2-yl]oxy-2-methylpropyl]-1-ethoxybenzene?
2-chloro-4-[2-[1-(3-chloro-4-ethoxyphenyl)-2-methylpropan-2-yl]oxy-2-methylpropyl]-1-ethoxybenzene has a molecular weight of 439.42 g/mol, XLogP of 7.15, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[2-[1-(3-chloro-4-ethoxyphenyl)-2-methylpropan-2-yl]oxy-2-methylpropyl]-1-ethoxybenzene is sourced from PubChem (CID 57051118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).