1,4-diphenyl-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione

C18H14O4 — CID 13310359

IUPAC1,4-diphenyl-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione
SMILESO=C1OC(c2ccccc2)C2C(=O)OC(c3ccccc3)C12
InChIInChI=1S/C18H14O4/c19-17-13-14(16(22-17)12-9-5-2-6-10-12)18(20)21-15(13)11-7-3-1-4-8-11/h1-10,13-16H
InChIKeyNUAAAPRSVYXHHB-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.82
Rot. Bonds2

About 1,4-diphenyl-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione

1,4-diphenyl-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione (PubChem CID 13310359) has the molecular formula C18H14O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 1,4-diphenyl-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione.

Molecular Properties

Compound Name1,4-diphenyl-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione
PubChem CID13310359
Molecular FormulaC18H14O4
Molecular Weight294.31 g/mol
Exact Mass294.09
IUPAC Name1,4-diphenyl-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione
SMILESO=C1OC(c2ccccc2)C2C(=O)OC(c3ccccc3)C12
InChIInChI=1S/C18H14O4/c19-17-13-14(16(22-17)12-9-5-2-6-10-12)18(20)21-15(13)11-7-3-1-4-8-11/h1-10,13-16H
InChIKeyNUAAAPRSVYXHHB-UHFFFAOYSA-N
XLogP2.82
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R,5S)-3,4-dimethyl-5-phenyloxolan-2-one
CID 101000241
(3R,6S)-3,6-diphenyl-1,4-dioxane-2,5-dione
CID 101432934
(3R,6R)-3,6-diphenyl-1,4-dioxane-2,5-dione
CID 101432935
(1S,5R,6S,8S)-5,6-diphenyl-2-oxatricyclo[5.2.1.04,8]decan-3-one
CID 102064529
2,5-diphenyl-1,3-dioxane-4,6-dione
CID 10683306
(3R,3aR,7aS)-3-phenyl-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-1-one
CID 13148720
1,4-bis(3,4-dihydroxyphenyl)-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione
CID 6454034
(3R,5R,6S)-3,4-dimethyl-5,6-diphenylmorpholin-2-one
CID 167005616
(3R,4R,5R)-3-(2-methylbutyl)-4,5-diphenyloxolan-2-one
CID 15305341
(3S,4S,5R)-3-[(dibenzylamino)methyl]-4,5-diphenyloxolan-2-one
CID 72725128
(3S,4S)-3,4-diphenyldioxetane
CID 71394517
2,3,5,6,8,9,11,12,14,15-decakis-phenyl-1,4,7,10,13-pentaoxacyclopentadecane
CID 20606657

Frequently Asked Questions

What is the IUPAC name of 1,4-diphenyl-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione?
The IUPAC name of 1,4-diphenyl-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione (CID 13310359) is 1,4-diphenyl-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione.
What is the SMILES notation for 1,4-diphenyl-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione?
The canonical SMILES for 1,4-diphenyl-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione is O=C1OC(c2ccccc2)C2C(=O)OC(c3ccccc3)C12.
What is the InChIKey of 1,4-diphenyl-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione?
The InChIKey is NUAAAPRSVYXHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O4/c19-17-13-14(16(22-17)12-9-5-2-6-10-12)18(20)21-15(13)11-7-3-1-4-8-11/h1-10,13-16H.
What are the key properties of 1,4-diphenyl-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione?
1,4-diphenyl-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione has a molecular weight of 294.31 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diphenyl-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione is sourced from PubChem (CID 13310359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).