1,4-bis(3,4-dihydroxyphenyl)-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione

C18H14O8 — CID 6454034

IUPAC1,4-bis(3,4-dihydroxyphenyl)-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione
SMILESO=C1OC(c2ccc(O)c(O)c2)C2C(=O)OC(c3ccc(O)c(O)c3)C12
InChIInChI=1S/C18H14O8/c19-9-3-1-7(5-11(9)21)15-13-14(18(24)25-15)16(26-17(13)23)8-2-4-10(20)12(22)6-8/h1-6,13-16,19-22H
InChIKeyOMWNNTOFRRBAKJ-UHFFFAOYSA-N
MW358.30 g/mol
LogP1.64
Rot. Bonds2

About 1,4-bis(3,4-dihydroxyphenyl)-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione

1,4-bis(3,4-dihydroxyphenyl)-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione (PubChem CID 6454034) has the molecular formula C18H14O8 and a molecular weight of 358.30 g/mol. Its IUPAC name is 1,4-bis(3,4-dihydroxyphenyl)-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione.

Molecular Properties

Compound Name1,4-bis(3,4-dihydroxyphenyl)-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione
PubChem CID6454034
Molecular FormulaC18H14O8
Molecular Weight358.30 g/mol
Exact Mass358.07
IUPAC Name1,4-bis(3,4-dihydroxyphenyl)-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione
SMILESO=C1OC(c2ccc(O)c(O)c2)C2C(=O)OC(c3ccc(O)c(O)c3)C12
InChIInChI=1S/C18H14O8/c19-9-3-1-7(5-11(9)21)15-13-14(18(24)25-15)16(26-17(13)23)8-2-4-10(20)12(22)6-8/h1-6,13-16,19-22H
InChIKeyOMWNNTOFRRBAKJ-UHFFFAOYSA-N
XLogP1.64
TPSA133.52 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.30
LogP ≤ 51.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(3,4-dihydroxyphenyl)-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione?
The IUPAC name of 1,4-bis(3,4-dihydroxyphenyl)-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione (CID 6454034) is 1,4-bis(3,4-dihydroxyphenyl)-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione.
What is the SMILES notation for 1,4-bis(3,4-dihydroxyphenyl)-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione?
The canonical SMILES for 1,4-bis(3,4-dihydroxyphenyl)-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione is O=C1OC(c2ccc(O)c(O)c2)C2C(=O)OC(c3ccc(O)c(O)c3)C12.
What is the InChIKey of 1,4-bis(3,4-dihydroxyphenyl)-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione?
The InChIKey is OMWNNTOFRRBAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O8/c19-9-3-1-7(5-11(9)21)15-13-14(18(24)25-15)16(26-17(13)23)8-2-4-10(20)12(22)6-8/h1-6,13-16,19-22H.
What are the key properties of 1,4-bis(3,4-dihydroxyphenyl)-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione?
1,4-bis(3,4-dihydroxyphenyl)-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione has a molecular weight of 358.30 g/mol, XLogP of 1.64, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(3,4-dihydroxyphenyl)-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione is sourced from PubChem (CID 6454034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).