2-(4-ethoxyphenyl)-3-[2-(4-ethoxyphenyl)propan-2-yloxy]butan-2-ol

C23H32O4 — CID 129179765

IUPAC2-(4-ethoxyphenyl)-3-[2-(4-ethoxyphenyl)propan-2-yloxy]butan-2-ol
SMILESCCOc1ccc(C(C)(C)OC(C)C(C)(O)c2ccc(OCC)cc2)cc1
InChIInChI=1S/C23H32O4/c1-7-25-20-13-9-18(10-14-20)22(4,5)27-17(3)23(6,24)19-11-15-21(16-12-19)26-8-2/h9-17,24H,7-8H2,1-6H3
InChIKeyIENACKOIQTVLNX-UHFFFAOYSA-N
MW372.51 g/mol
LogP5.03
Rot. Bonds9

About 2-(4-ethoxyphenyl)-3-[2-(4-ethoxyphenyl)propan-2-yloxy]butan-2-ol

2-(4-ethoxyphenyl)-3-[2-(4-ethoxyphenyl)propan-2-yloxy]butan-2-ol (PubChem CID 129179765) has the molecular formula C23H32O4 and a molecular weight of 372.51 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-3-[2-(4-ethoxyphenyl)propan-2-yloxy]butan-2-ol.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-3-[2-(4-ethoxyphenyl)propan-2-yloxy]butan-2-ol
PubChem CID129179765
Molecular FormulaC23H32O4
Molecular Weight372.51 g/mol
Exact Mass372.23
IUPAC Name2-(4-ethoxyphenyl)-3-[2-(4-ethoxyphenyl)propan-2-yloxy]butan-2-ol
SMILESCCOc1ccc(C(C)(C)OC(C)C(C)(O)c2ccc(OCC)cc2)cc1
InChIInChI=1S/C23H32O4/c1-7-25-20-13-9-18(10-14-20)22(4,5)27-17(3)23(6,24)19-11-15-21(16-12-19)26-8-2/h9-17,24H,7-8H2,1-6H3
InChIKeyIENACKOIQTVLNX-UHFFFAOYSA-N
XLogP5.03
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.51
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-ethoxyphenyl)-3-methylbutan-2-ol
CID 94601213
2-(4-ethoxyphenyl)-1,1-difluoropropan-2-ol
CID 80604410
3-(4-ethoxyphenyl)-2-ethyl-3-hydroxybutanoic acid
CID 55139482
2-(4-ethoxyphenyl)-1-(methylamino)propan-2-ol
CID 62772806
2-(4-ethoxyphenyl)-4-(2-methylpropylamino)butan-2-ol
CID 66003253
1-(tert-butylamino)-2-(4-ethoxyphenyl)propan-2-ol
CID 62773212
3-(4-ethoxyphenyl)-N,3-dimethylbutan-1-amine
CID 79830478
4-(4-ethoxyphenyl)heptan-4-ol
CID 114865928
8-[4-[2-[3-(4-butoxyphenyl)-3-hydroxybutan-2-yl]oxypropan-2-yl]phenoxy]-1-(4-butylphenyl)-3-methyloctan-1-ol
CID 129179665
2-(4-ethoxyphenyl)propan-2-yl acetate
CID 129179659
3-(4-ethoxyphenyl)pentan-3-ol
CID 62788135
ethyl 2-ethyl-3-hydroxy-3-(4-propoxyphenyl)butanoate
CID 62394724

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-3-[2-(4-ethoxyphenyl)propan-2-yloxy]butan-2-ol?
The IUPAC name of 2-(4-ethoxyphenyl)-3-[2-(4-ethoxyphenyl)propan-2-yloxy]butan-2-ol (CID 129179765) is 2-(4-ethoxyphenyl)-3-[2-(4-ethoxyphenyl)propan-2-yloxy]butan-2-ol.
What is the SMILES notation for 2-(4-ethoxyphenyl)-3-[2-(4-ethoxyphenyl)propan-2-yloxy]butan-2-ol?
The canonical SMILES for 2-(4-ethoxyphenyl)-3-[2-(4-ethoxyphenyl)propan-2-yloxy]butan-2-ol is CCOc1ccc(C(C)(C)OC(C)C(C)(O)c2ccc(OCC)cc2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-3-[2-(4-ethoxyphenyl)propan-2-yloxy]butan-2-ol?
The InChIKey is IENACKOIQTVLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O4/c1-7-25-20-13-9-18(10-14-20)22(4,5)27-17(3)23(6,24)19-11-15-21(16-12-19)26-8-2/h9-17,24H,7-8H2,1-6H3.
What are the key properties of 2-(4-ethoxyphenyl)-3-[2-(4-ethoxyphenyl)propan-2-yloxy]butan-2-ol?
2-(4-ethoxyphenyl)-3-[2-(4-ethoxyphenyl)propan-2-yloxy]butan-2-ol has a molecular weight of 372.51 g/mol, XLogP of 5.03, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-3-[2-(4-ethoxyphenyl)propan-2-yloxy]butan-2-ol is sourced from PubChem (CID 129179765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).