[3-acetyloxy-2,3-bis(4-ethoxyphenyl)butan-2-yl] acetate

C24H30O6 — CID 139891574

IUPAC[3-acetyloxy-2,3-bis(4-ethoxyphenyl)butan-2-yl] acetate
SMILESCCOc1ccc(C(C)(OC(C)=O)C(C)(OC(C)=O)c2ccc(OCC)cc2)cc1
InChIInChI=1S/C24H30O6/c1-7-27-21-13-9-19(10-14-21)23(5,29-17(3)25)24(6,30-18(4)26)20-11-15-22(16-12-20)28-8-2/h9-16H,7-8H2,1-6H3
InChIKeyUHLVADHJEBNWQS-UHFFFAOYSA-N
MW414.50 g/mol
LogP4.74
Rot. Bonds9

About [3-acetyloxy-2,3-bis(4-ethoxyphenyl)butan-2-yl] acetate

[3-acetyloxy-2,3-bis(4-ethoxyphenyl)butan-2-yl] acetate (PubChem CID 139891574) has the molecular formula C24H30O6 and a molecular weight of 414.50 g/mol. Its IUPAC name is [3-acetyloxy-2,3-bis(4-ethoxyphenyl)butan-2-yl] acetate.

Molecular Properties

Compound Name[3-acetyloxy-2,3-bis(4-ethoxyphenyl)butan-2-yl] acetate
PubChem CID139891574
Molecular FormulaC24H30O6
Molecular Weight414.50 g/mol
Exact Mass414.20
IUPAC Name[3-acetyloxy-2,3-bis(4-ethoxyphenyl)butan-2-yl] acetate
SMILESCCOc1ccc(C(C)(OC(C)=O)C(C)(OC(C)=O)c2ccc(OCC)cc2)cc1
InChIInChI=1S/C24H30O6/c1-7-27-21-13-9-19(10-14-21)23(5,29-17(3)25)24(6,30-18(4)26)20-11-15-22(16-12-20)28-8-2/h9-16H,7-8H2,1-6H3
InChIKeyUHLVADHJEBNWQS-UHFFFAOYSA-N
XLogP4.74
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-acetyloxy-2,3-bis(4-butoxyphenyl)butan-2-yl] acetate
CID 139891609
2-(4-ethoxyphenyl)propan-2-yl acetate
CID 129179659
acetic acid;2-(4-ethoxyphenyl)-2-methylpropan-1-ol
CID 175113858
[(Z)-4-(4-ethoxyphenyl)-2-fluoro-4-methylpent-2-enyl] acetate
CID 70344803
(2S)-2-(4-ethoxyphenyl)-3-methylbutan-2-ol
CID 94601213
2-ethoxy-2-(4-ethoxyphenyl)propanoic acid
CID 114990539
1-(4-tert-butylphenyl)-3-(4-ethoxyphenyl)urea
CID 108874354
ethyl 3-(4-ethoxyphenyl)-3-hydroxybutanoate
CID 55071355
1-(4-ethoxyphenoxy)-3,3-dimethylbutan-2-one
CID 43411658
3-(4-ethoxyphenyl)sulfanyl-2,2-dimethylpropanoic acid
CID 116853029
methyl 2-(4-ethoxyphenyl)-3-hydroxy-2-methylpropanoate
CID 21348092
3-(4-ethoxyphenyl)-2-ethyl-3-hydroxybutanoic acid
CID 55139482

Frequently Asked Questions

What is the IUPAC name of [3-acetyloxy-2,3-bis(4-ethoxyphenyl)butan-2-yl] acetate?
The IUPAC name of [3-acetyloxy-2,3-bis(4-ethoxyphenyl)butan-2-yl] acetate (CID 139891574) is [3-acetyloxy-2,3-bis(4-ethoxyphenyl)butan-2-yl] acetate.
What is the SMILES notation for [3-acetyloxy-2,3-bis(4-ethoxyphenyl)butan-2-yl] acetate?
The canonical SMILES for [3-acetyloxy-2,3-bis(4-ethoxyphenyl)butan-2-yl] acetate is CCOc1ccc(C(C)(OC(C)=O)C(C)(OC(C)=O)c2ccc(OCC)cc2)cc1.
What is the InChIKey of [3-acetyloxy-2,3-bis(4-ethoxyphenyl)butan-2-yl] acetate?
The InChIKey is UHLVADHJEBNWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O6/c1-7-27-21-13-9-19(10-14-21)23(5,29-17(3)25)24(6,30-18(4)26)20-11-15-22(16-12-20)28-8-2/h9-16H,7-8H2,1-6H3.
What are the key properties of [3-acetyloxy-2,3-bis(4-ethoxyphenyl)butan-2-yl] acetate?
[3-acetyloxy-2,3-bis(4-ethoxyphenyl)butan-2-yl] acetate has a molecular weight of 414.50 g/mol, XLogP of 4.74, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-acetyloxy-2,3-bis(4-ethoxyphenyl)butan-2-yl] acetate is sourced from PubChem (CID 139891574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).