[1,2-diacetyloxy-7,8-dihydroxy-3-(4-hydroxyphenyl)dibenzofuran-4-yl] acetate

C24H18O10 — CID 10344454

IUPAC[1,2-diacetyloxy-7,8-dihydroxy-3-(4-hydroxyphenyl)dibenzofuran-4-yl] acetate
SMILESCC(=O)Oc1c(-c2ccc(O)cc2)c(OC(C)=O)c2oc3cc(O)c(O)cc3c2c1OC(C)=O
InChIInChI=1S/C24H18O10/c1-10(25)31-21-19(13-4-6-14(28)7-5-13)22(32-11(2)26)24-20(23(21)33-12(3)27)15-8-16(29)17(30)9-18(15)34-24/h4-9,28-30H,1-3H3
InChIKeyDTOIFOOSMQSUBD-UHFFFAOYSA-N
MW466.40 g/mol
LogP4.15
Rot. Bonds4

About [1,2-diacetyloxy-7,8-dihydroxy-3-(4-hydroxyphenyl)dibenzofuran-4-yl] acetate

[1,2-diacetyloxy-7,8-dihydroxy-3-(4-hydroxyphenyl)dibenzofuran-4-yl] acetate (PubChem CID 10344454) has the molecular formula C24H18O10 and a molecular weight of 466.40 g/mol. Its IUPAC name is [1,2-diacetyloxy-7,8-dihydroxy-3-(4-hydroxyphenyl)dibenzofuran-4-yl] acetate.

Molecular Properties

Compound Name[1,2-diacetyloxy-7,8-dihydroxy-3-(4-hydroxyphenyl)dibenzofuran-4-yl] acetate
PubChem CID10344454
Molecular FormulaC24H18O10
Molecular Weight466.40 g/mol
Exact Mass466.09
IUPAC Name[1,2-diacetyloxy-7,8-dihydroxy-3-(4-hydroxyphenyl)dibenzofuran-4-yl] acetate
SMILESCC(=O)Oc1c(-c2ccc(O)cc2)c(OC(C)=O)c2oc3cc(O)c(O)cc3c2c1OC(C)=O
InChIInChI=1S/C24H18O10/c1-10(25)31-21-19(13-4-6-14(28)7-5-13)22(32-11(2)26)24-20(23(21)33-12(3)27)15-8-16(29)17(30)9-18(15)34-24/h4-9,28-30H,1-3H3
InChIKeyDTOIFOOSMQSUBD-UHFFFAOYSA-N
XLogP4.15
TPSA152.73 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.40
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1,2-diacetyloxy-7,8-dihydroxy-3-(4-hydroxyphenyl)dibenzofuran-4-yl] acetate?
The IUPAC name of [1,2-diacetyloxy-7,8-dihydroxy-3-(4-hydroxyphenyl)dibenzofuran-4-yl] acetate (CID 10344454) is [1,2-diacetyloxy-7,8-dihydroxy-3-(4-hydroxyphenyl)dibenzofuran-4-yl] acetate.
What is the SMILES notation for [1,2-diacetyloxy-7,8-dihydroxy-3-(4-hydroxyphenyl)dibenzofuran-4-yl] acetate?
The canonical SMILES for [1,2-diacetyloxy-7,8-dihydroxy-3-(4-hydroxyphenyl)dibenzofuran-4-yl] acetate is CC(=O)Oc1c(-c2ccc(O)cc2)c(OC(C)=O)c2oc3cc(O)c(O)cc3c2c1OC(C)=O.
What is the InChIKey of [1,2-diacetyloxy-7,8-dihydroxy-3-(4-hydroxyphenyl)dibenzofuran-4-yl] acetate?
The InChIKey is DTOIFOOSMQSUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O10/c1-10(25)31-21-19(13-4-6-14(28)7-5-13)22(32-11(2)26)24-20(23(21)33-12(3)27)15-8-16(29)17(30)9-18(15)34-24/h4-9,28-30H,1-3H3.
What are the key properties of [1,2-diacetyloxy-7,8-dihydroxy-3-(4-hydroxyphenyl)dibenzofuran-4-yl] acetate?
[1,2-diacetyloxy-7,8-dihydroxy-3-(4-hydroxyphenyl)dibenzofuran-4-yl] acetate has a molecular weight of 466.40 g/mol, XLogP of 4.15, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2-diacetyloxy-7,8-dihydroxy-3-(4-hydroxyphenyl)dibenzofuran-4-yl] acetate is sourced from PubChem (CID 10344454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).