3-[(2-chlorophenyl)-[(2-chlorophenyl)-(3-ethyloxetan-3-yl)methoxy]methyl]-3-ethyloxetane

C24H28Cl2O3 — CID 141433719

IUPAC3-[(2-chlorophenyl)-[(2-chlorophenyl)-(3-ethyloxetan-3-yl)methoxy]methyl]-3-ethyloxetane
SMILESCCC1(C(OC(c2ccccc2Cl)C2(CC)COC2)c2ccccc2Cl)COC1
InChIInChI=1S/C24H28Cl2O3/c1-3-23(13-27-14-23)21(17-9-5-7-11-19(17)25)29-22(24(4-2)15-28-16-24)18-10-6-8-12-20(18)26/h5-12,21-22H,3-4,13-16H2,1-2H3
InChIKeyMPLBFTJGOLSPPX-UHFFFAOYSA-N
MW435.39 g/mol
LogP6.65
Rot. Bonds8

About 3-[(2-chlorophenyl)-[(2-chlorophenyl)-(3-ethyloxetan-3-yl)methoxy]methyl]-3-ethyloxetane

3-[(2-chlorophenyl)-[(2-chlorophenyl)-(3-ethyloxetan-3-yl)methoxy]methyl]-3-ethyloxetane (PubChem CID 141433719) has the molecular formula C24H28Cl2O3 and a molecular weight of 435.39 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)-[(2-chlorophenyl)-(3-ethyloxetan-3-yl)methoxy]methyl]-3-ethyloxetane.

Molecular Properties

Compound Name3-[(2-chlorophenyl)-[(2-chlorophenyl)-(3-ethyloxetan-3-yl)methoxy]methyl]-3-ethyloxetane
PubChem CID141433719
Molecular FormulaC24H28Cl2O3
Molecular Weight435.39 g/mol
Exact Mass434.14
IUPAC Name3-[(2-chlorophenyl)-[(2-chlorophenyl)-(3-ethyloxetan-3-yl)methoxy]methyl]-3-ethyloxetane
SMILESCCC1(C(OC(c2ccccc2Cl)C2(CC)COC2)c2ccccc2Cl)COC1
InChIInChI=1S/C24H28Cl2O3/c1-3-23(13-27-14-23)21(17-9-5-7-11-19(17)25)29-22(24(4-2)15-28-16-24)18-10-6-8-12-20(18)26/h5-12,21-22H,3-4,13-16H2,1-2H3
InChIKeyMPLBFTJGOLSPPX-UHFFFAOYSA-N
XLogP6.65
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.39
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[(2-chlorophenyl)-[(2-chlorophenyl)-(3-ethyloxetan-3-yl)methoxy]methyl]-3-ethyloxetane with MolForge

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Related Compounds

1-chloro-2-[chloro-[chloro-(2-chlorophenyl)methoxy]methyl]benzene
CID 18755880
3-(2-ethoxy-1-phenoxyethyl)-3-ethyloxetane
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1-chloro-2-(1-ethoxyethyl)benzene
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N-[2-(2-chlorophenyl)-2-methoxyethyl]propan-2-amine
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ethyl 2-[2-(2-chlorophenyl)heptyl]oxirane-2-carboxylate
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triethyl 2-(2-chlorophenyl)ethane-1,1,2-tricarboxylate
CID 102417450
3-(2-chlorophenyl)-3-methoxypropan-1-ol
CID 105453227
(1S)-1-(2-chlorophenyl)butan-1-amine
CID 55278025
N-[2-(2-chlorophenyl)-2-methoxyethyl]propanamide
CID 90623661
1-(2-chlorophenyl)-2-ethyl-2-methoxybutan-1-amine
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1-chloro-2-[(1S)-1-phenylpropyl]benzene
CID 126732807

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)-[(2-chlorophenyl)-(3-ethyloxetan-3-yl)methoxy]methyl]-3-ethyloxetane?
The IUPAC name of 3-[(2-chlorophenyl)-[(2-chlorophenyl)-(3-ethyloxetan-3-yl)methoxy]methyl]-3-ethyloxetane (CID 141433719) is 3-[(2-chlorophenyl)-[(2-chlorophenyl)-(3-ethyloxetan-3-yl)methoxy]methyl]-3-ethyloxetane.
What is the SMILES notation for 3-[(2-chlorophenyl)-[(2-chlorophenyl)-(3-ethyloxetan-3-yl)methoxy]methyl]-3-ethyloxetane?
The canonical SMILES for 3-[(2-chlorophenyl)-[(2-chlorophenyl)-(3-ethyloxetan-3-yl)methoxy]methyl]-3-ethyloxetane is CCC1(C(OC(c2ccccc2Cl)C2(CC)COC2)c2ccccc2Cl)COC1.
What is the InChIKey of 3-[(2-chlorophenyl)-[(2-chlorophenyl)-(3-ethyloxetan-3-yl)methoxy]methyl]-3-ethyloxetane?
The InChIKey is MPLBFTJGOLSPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28Cl2O3/c1-3-23(13-27-14-23)21(17-9-5-7-11-19(17)25)29-22(24(4-2)15-28-16-24)18-10-6-8-12-20(18)26/h5-12,21-22H,3-4,13-16H2,1-2H3.
What are the key properties of 3-[(2-chlorophenyl)-[(2-chlorophenyl)-(3-ethyloxetan-3-yl)methoxy]methyl]-3-ethyloxetane?
3-[(2-chlorophenyl)-[(2-chlorophenyl)-(3-ethyloxetan-3-yl)methoxy]methyl]-3-ethyloxetane has a molecular weight of 435.39 g/mol, XLogP of 6.65, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)-[(2-chlorophenyl)-(3-ethyloxetan-3-yl)methoxy]methyl]-3-ethyloxetane is sourced from PubChem (CID 141433719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).