1,4-bis(4-chlorophenyl)furo[3,4-c]furan-3,6-dione

C18H8Cl2O4 — CID 12695053

IUPAC1,4-bis(4-chlorophenyl)furo[3,4-c]furan-3,6-dione
SMILESO=C1OC(c2ccc(Cl)cc2)=C2C(=O)OC(c3ccc(Cl)cc3)=C12
InChIInChI=1S/C18H8Cl2O4/c19-11-5-1-9(2-6-11)15-13-14(18(22)23-15)16(24-17(13)21)10-3-7-12(20)8-4-10/h1-8H
InChIKeyNBHQFQZPDVEFHP-UHFFFAOYSA-N
MW359.16 g/mol
LogP4.23
Rot. Bonds2

About 1,4-bis(4-chlorophenyl)furo[3,4-c]furan-3,6-dione

1,4-bis(4-chlorophenyl)furo[3,4-c]furan-3,6-dione (PubChem CID 12695053) has the molecular formula C18H8Cl2O4 and a molecular weight of 359.16 g/mol. Its IUPAC name is 1,4-bis(4-chlorophenyl)furo[3,4-c]furan-3,6-dione.

Molecular Properties

Compound Name1,4-bis(4-chlorophenyl)furo[3,4-c]furan-3,6-dione
PubChem CID12695053
Molecular FormulaC18H8Cl2O4
Molecular Weight359.16 g/mol
Exact Mass357.98
IUPAC Name1,4-bis(4-chlorophenyl)furo[3,4-c]furan-3,6-dione
SMILESO=C1OC(c2ccc(Cl)cc2)=C2C(=O)OC(c3ccc(Cl)cc3)=C12
InChIInChI=1S/C18H8Cl2O4/c19-11-5-1-9(2-6-11)15-13-14(18(22)23-15)16(24-17(13)21)10-3-7-12(20)8-4-10/h1-8H
InChIKeyNBHQFQZPDVEFHP-UHFFFAOYSA-N
XLogP4.23
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.16
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}

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Related Compounds

3-(4-chlorophenyl)-4-methoxy-5-methylidenefuran-2-one
CID 71626990
3-(4-chlorophenyl)-4-(4-nitrophenyl)furan-2,5-dione
CID 86081138
3-(4-chlorophenyl)-5-[[4-(4-chlorophenyl)phenyl]methylidene]-4-hydroxyfuran-2-one
CID 68541267
(3Z)-5-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-2-oxofuran-3-ylidene]furan-2-one
CID 177426149
3-(2,1,3-benzoxadiazol-5-yl)-4-(4-chlorophenyl)furan-2,5-dione
CID 57144913
4,6-bis(4-chlorophenyl)thieno[3,4-c]furan-1,3-dione
CID 71373456
3-(2,1,3-benzothiadiazol-5-yl)-4-(4-chlorophenyl)furan-2,5-dione
CID 56998674
4-(4-chlorophenyl)-2-methyl-2H-furan-5-one
CID 506537
1-chloro-4-(4-chlorophenyl)benzene;ruthenium
CID 159976594
2-(4-chlorophenyl)-5-(dimethyl-λ4-sulfanylidene)-1,3-oxazine-4,6-dione
CID 4120941
4-chloro-5-(4-methoxyphenyl)furan-2,3-dione
CID 13308165
8,9-bis(4-chlorophenyl)-2,2,3,3-tetramethyl-1,4,6-trioxa-5-boranuidaspiro[4.4]non-8-en-7-one
CID 135062147

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(4-chlorophenyl)furo[3,4-c]furan-3,6-dione?
The IUPAC name of 1,4-bis(4-chlorophenyl)furo[3,4-c]furan-3,6-dione (CID 12695053) is 1,4-bis(4-chlorophenyl)furo[3,4-c]furan-3,6-dione.
What is the SMILES notation for 1,4-bis(4-chlorophenyl)furo[3,4-c]furan-3,6-dione?
The canonical SMILES for 1,4-bis(4-chlorophenyl)furo[3,4-c]furan-3,6-dione is O=C1OC(c2ccc(Cl)cc2)=C2C(=O)OC(c3ccc(Cl)cc3)=C12.
What is the InChIKey of 1,4-bis(4-chlorophenyl)furo[3,4-c]furan-3,6-dione?
The InChIKey is NBHQFQZPDVEFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H8Cl2O4/c19-11-5-1-9(2-6-11)15-13-14(18(22)23-15)16(24-17(13)21)10-3-7-12(20)8-4-10/h1-8H.
What are the key properties of 1,4-bis(4-chlorophenyl)furo[3,4-c]furan-3,6-dione?
1,4-bis(4-chlorophenyl)furo[3,4-c]furan-3,6-dione has a molecular weight of 359.16 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(4-chlorophenyl)furo[3,4-c]furan-3,6-dione is sourced from PubChem (CID 12695053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).