[3,4-bis(2-hydroxypropanoyloxy)phenyl] 2-hydroxypropanoate;ethane

C17H24O9 — CID 143197438

IUPAC[3,4-bis(2-hydroxypropanoyloxy)phenyl] 2-hydroxypropanoate;ethane
SMILESCC.CC(O)C(=O)Oc1ccc(OC(=O)C(C)O)c(OC(=O)C(C)O)c1
InChIInChI=1S/C15H18O9.C2H6/c1-7(16)13(19)22-10-4-5-11(23-14(20)8(2)17)12(6-10)24-15(21)9(3)18;1-2/h4-9,16-18H,1-3H3;1-2H3
InChIKeyHGEXXXGGXPMCQJ-UHFFFAOYSA-N
MW372.37 g/mol
LogP0.57
Rot. Bonds6

About [3,4-bis(2-hydroxypropanoyloxy)phenyl] 2-hydroxypropanoate;ethane

[3,4-bis(2-hydroxypropanoyloxy)phenyl] 2-hydroxypropanoate;ethane (PubChem CID 143197438) has the molecular formula C17H24O9 and a molecular weight of 372.37 g/mol. Its IUPAC name is [3,4-bis(2-hydroxypropanoyloxy)phenyl] 2-hydroxypropanoate;ethane.

Molecular Properties

Compound Name[3,4-bis(2-hydroxypropanoyloxy)phenyl] 2-hydroxypropanoate;ethane
PubChem CID143197438
Molecular FormulaC17H24O9
Molecular Weight372.37 g/mol
Exact Mass372.14
IUPAC Name[3,4-bis(2-hydroxypropanoyloxy)phenyl] 2-hydroxypropanoate;ethane
SMILESCC.CC(O)C(=O)Oc1ccc(OC(=O)C(C)O)c(OC(=O)C(C)O)c1
InChIInChI=1S/C15H18O9.C2H6/c1-7(16)13(19)22-10-4-5-11(23-14(20)8(2)17)12(6-10)24-15(21)9(3)18;1-2/h4-9,16-18H,1-3H3;1-2H3
InChIKeyHGEXXXGGXPMCQJ-UHFFFAOYSA-N
XLogP0.57
TPSA139.59 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(3-iodophenyl) (2R)-2-hydroxypropanoate
CID 130670103
(2,3,4-trifluorophenyl) 2-hydroxypropanoate
CID 117051257
(3,5-difluorophenyl) 2-hydroxypropanoate
CID 117051136
(2-butanoyloxy-4-propan-2-yloxyphenyl) butanoate
CID 140675572
(2-acetyl-4-propan-2-ylphenyl) 2-hydroxypropanoate
CID 90191595
[4-[2-(2-hydroxypropanoyloxy)propan-2-yl]phenyl] 2-hydroxypropanoate
CID 58944209
[4-fluoro-2-(2-methylpropanoyloxy)phenyl] 2-methylpropanoate
CID 90032210
[4-ethyl-2-(2-methylpropanoyloxy)phenyl] 2-methylpropanoate
CID 18510202
[7-(2-methylpropanoyloxy)naphthalen-2-yl] 2-methylpropanoate
CID 4011744
[4-methoxy-2-(4-methylpentanoyloxy)phenyl] 4-methylpentanoate
CID 90032024
[2-(2,3-dimethylbutanoyloxy)phenyl] 2,3-dimethylbutanoate
CID 118108385
(3,4-dimethoxyphenyl) methyl carbonate
CID 175298051

Frequently Asked Questions

What is the IUPAC name of [3,4-bis(2-hydroxypropanoyloxy)phenyl] 2-hydroxypropanoate;ethane?
The IUPAC name of [3,4-bis(2-hydroxypropanoyloxy)phenyl] 2-hydroxypropanoate;ethane (CID 143197438) is [3,4-bis(2-hydroxypropanoyloxy)phenyl] 2-hydroxypropanoate;ethane.
What is the SMILES notation for [3,4-bis(2-hydroxypropanoyloxy)phenyl] 2-hydroxypropanoate;ethane?
The canonical SMILES for [3,4-bis(2-hydroxypropanoyloxy)phenyl] 2-hydroxypropanoate;ethane is CC.CC(O)C(=O)Oc1ccc(OC(=O)C(C)O)c(OC(=O)C(C)O)c1.
What is the InChIKey of [3,4-bis(2-hydroxypropanoyloxy)phenyl] 2-hydroxypropanoate;ethane?
The InChIKey is HGEXXXGGXPMCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O9.C2H6/c1-7(16)13(19)22-10-4-5-11(23-14(20)8(2)17)12(6-10)24-15(21)9(3)18;1-2/h4-9,16-18H,1-3H3;1-2H3.
What are the key properties of [3,4-bis(2-hydroxypropanoyloxy)phenyl] 2-hydroxypropanoate;ethane?
[3,4-bis(2-hydroxypropanoyloxy)phenyl] 2-hydroxypropanoate;ethane has a molecular weight of 372.37 g/mol, XLogP of 0.57, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-bis(2-hydroxypropanoyloxy)phenyl] 2-hydroxypropanoate;ethane is sourced from PubChem (CID 143197438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).