2-(2,4-dimethoxyphenyl)-3-[3-[2-(2,4-dimethoxyphenyl)-3-ethyloxetan-3-yl]propyl]-3-ethyloxetane

C29H40O6 — CID 58752975

IUPAC2-(2,4-dimethoxyphenyl)-3-[3-[2-(2,4-dimethoxyphenyl)-3-ethyloxetan-3-yl]propyl]-3-ethyloxetane
SMILESCCC1(CCCC2(CC)COC2c2ccc(OC)cc2OC)COC1c1ccc(OC)cc1OC
InChIInChI=1S/C29H40O6/c1-7-28(18-34-26(28)22-12-10-20(30-3)16-24(22)32-5)14-9-15-29(8-2)19-35-27(29)23-13-11-21(31-4)17-25(23)33-6/h10-13,16-17,26-27H,7-9,14-15,18-19H2,1-6H3
InChIKeyBGRDVFOKXNRROH-UHFFFAOYSA-N
MW484.63 g/mol
LogP6.53
Rot. Bonds12

About 2-(2,4-dimethoxyphenyl)-3-[3-[2-(2,4-dimethoxyphenyl)-3-ethyloxetan-3-yl]propyl]-3-ethyloxetane

2-(2,4-dimethoxyphenyl)-3-[3-[2-(2,4-dimethoxyphenyl)-3-ethyloxetan-3-yl]propyl]-3-ethyloxetane (PubChem CID 58752975) has the molecular formula C29H40O6 and a molecular weight of 484.63 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-3-[3-[2-(2,4-dimethoxyphenyl)-3-ethyloxetan-3-yl]propyl]-3-ethyloxetane.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-3-[3-[2-(2,4-dimethoxyphenyl)-3-ethyloxetan-3-yl]propyl]-3-ethyloxetane
PubChem CID58752975
Molecular FormulaC29H40O6
Molecular Weight484.63 g/mol
Exact Mass484.28
IUPAC Name2-(2,4-dimethoxyphenyl)-3-[3-[2-(2,4-dimethoxyphenyl)-3-ethyloxetan-3-yl]propyl]-3-ethyloxetane
SMILESCCC1(CCCC2(CC)COC2c2ccc(OC)cc2OC)COC1c1ccc(OC)cc1OC
InChIInChI=1S/C29H40O6/c1-7-28(18-34-26(28)22-12-10-20(30-3)16-24(22)32-5)14-9-15-29(8-2)19-35-27(29)23-13-11-21(31-4)17-25(23)33-6/h10-13,16-17,26-27H,7-9,14-15,18-19H2,1-6H3
InChIKeyBGRDVFOKXNRROH-UHFFFAOYSA-N
XLogP6.53
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.63
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(2,4-dimethoxyphenyl)-3-[3-[2-(2,4-dimethoxyphenyl)-3-ethyloxetan-3-yl]propyl]-3-ethyloxetane with MolForge

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Related Compounds

3-(2,4-dimethoxyphenyl)-2-ethyl-N,2-dimethylcyclobutan-1-amine
CID 81418351
1-bromo-2-[(1R)-2,2-diethylcyclopropyl]-4-methoxybenzene
CID 58558467
[(1S,3S)-3-(2,4-dimethoxyphenyl)-2,2-dimethylcyclopropyl]methanamine
CID 178197960
6-(2,4-dimethoxyphenyl)-2-methyl-2-propylmorpholine
CID 106292512
trans-(1S,2R)-2-(2,4-dimethoxyphenyl)cyclopropan-1-amine
CID 39238725
1-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one
CID 7361597
(2S)-2-(2,4-dimethoxyphenyl)-1-ethylpyrrolidine
CID 94709986
3-(2,4-dimethoxyphenyl)-2,2-dimethylcyclobutan-1-ol
CID 81416329
(4S)-7-methoxy-2-methyl-2-pentyl-3,4-dihydrochromen-4-ol
CID 104948818
2-butyl-2-ethyl-6-methoxy-3,4-dihydrochromen-4-ol
CID 114715453
(4S)-4-(2,4-dimethoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one
CID 171187783
5-ethyl-5-(methoxymethyl)-2-(2,4,6-trimethoxyphenyl)-1,3-dioxane
CID 148707532

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-3-[3-[2-(2,4-dimethoxyphenyl)-3-ethyloxetan-3-yl]propyl]-3-ethyloxetane?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-3-[3-[2-(2,4-dimethoxyphenyl)-3-ethyloxetan-3-yl]propyl]-3-ethyloxetane (CID 58752975) is 2-(2,4-dimethoxyphenyl)-3-[3-[2-(2,4-dimethoxyphenyl)-3-ethyloxetan-3-yl]propyl]-3-ethyloxetane.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-3-[3-[2-(2,4-dimethoxyphenyl)-3-ethyloxetan-3-yl]propyl]-3-ethyloxetane?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-3-[3-[2-(2,4-dimethoxyphenyl)-3-ethyloxetan-3-yl]propyl]-3-ethyloxetane is CCC1(CCCC2(CC)COC2c2ccc(OC)cc2OC)COC1c1ccc(OC)cc1OC.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-3-[3-[2-(2,4-dimethoxyphenyl)-3-ethyloxetan-3-yl]propyl]-3-ethyloxetane?
The InChIKey is BGRDVFOKXNRROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40O6/c1-7-28(18-34-26(28)22-12-10-20(30-3)16-24(22)32-5)14-9-15-29(8-2)19-35-27(29)23-13-11-21(31-4)17-25(23)33-6/h10-13,16-17,26-27H,7-9,14-15,18-19H2,1-6H3.
What are the key properties of 2-(2,4-dimethoxyphenyl)-3-[3-[2-(2,4-dimethoxyphenyl)-3-ethyloxetan-3-yl]propyl]-3-ethyloxetane?
2-(2,4-dimethoxyphenyl)-3-[3-[2-(2,4-dimethoxyphenyl)-3-ethyloxetan-3-yl]propyl]-3-ethyloxetane has a molecular weight of 484.63 g/mol, XLogP of 6.53, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-3-[3-[2-(2,4-dimethoxyphenyl)-3-ethyloxetan-3-yl]propyl]-3-ethyloxetane is sourced from PubChem (CID 58752975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).