dipropyl 2,5-diphenylfuran-3,4-dicarboxylate

C24H24O5 — CID 141186958

IUPACdipropyl 2,5-diphenylfuran-3,4-dicarboxylate
SMILESCCCOC(=O)c1c(-c2ccccc2)oc(-c2ccccc2)c1C(=O)OCCC
InChIInChI=1S/C24H24O5/c1-3-15-27-23(25)19-20(24(26)28-16-4-2)22(18-13-9-6-10-14-18)29-21(19)17-11-7-5-8-12-17/h5-14H,3-4,15-16H2,1-2H3
InChIKeyOYNIACMTELVNRB-UHFFFAOYSA-N
MW392.45 g/mol
LogP5.75
Rot. Bonds8

About dipropyl 2,5-diphenylfuran-3,4-dicarboxylate

dipropyl 2,5-diphenylfuran-3,4-dicarboxylate (PubChem CID 141186958) has the molecular formula C24H24O5 and a molecular weight of 392.45 g/mol. Its IUPAC name is dipropyl 2,5-diphenylfuran-3,4-dicarboxylate.

Molecular Properties

Compound Namedipropyl 2,5-diphenylfuran-3,4-dicarboxylate
PubChem CID141186958
Molecular FormulaC24H24O5
Molecular Weight392.45 g/mol
Exact Mass392.16
IUPAC Namedipropyl 2,5-diphenylfuran-3,4-dicarboxylate
SMILESCCCOC(=O)c1c(-c2ccccc2)oc(-c2ccccc2)c1C(=O)OCCC
InChIInChI=1S/C24H24O5/c1-3-15-27-23(25)19-20(24(26)28-16-4-2)22(18-13-9-6-10-14-18)29-21(19)17-11-7-5-8-12-17/h5-14H,3-4,15-16H2,1-2H3
InChIKeyOYNIACMTELVNRB-UHFFFAOYSA-N
XLogP5.75
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.45
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

butyl 2-amino-4,5-diphenylfuran-3-carboxylate
CID 4738026
ethyl 4-hydroxy-5-methyl-2-phenylfuran-3-carboxylate
CID 117059608
ethyl 4,9-dioxo-2-phenylbenzo[f][1]benzofuran-3-carboxylate
CID 822829
dipropyl naphthalene-1,4-dicarboxylate
CID 139070160
4-phenylphenol;propyl 4-hydroxybenzoate
CID 174901062
2,3-bis(propoxycarbonyl)benzoic acid
CID 91156488
ethyl 2-methoxy-4,5-diphenylfuran-3-carboxylate
CID 11056368
propyl acetate;propyl benzoate
CID 123140515
ethyl 4-chloro-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate
CID 23267424
ethyl 5-hydroxy-2-phenylbenzo[g][1]benzofuran-3-carboxylate
CID 869250
2-phenyl-5-propoxy-1-benzofuran-3-carboxylic acid
CID 142773604
ethyl 1-oxo-3-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyran-4-carboxylate
CID 10990596

Frequently Asked Questions

What is the IUPAC name of dipropyl 2,5-diphenylfuran-3,4-dicarboxylate?
The IUPAC name of dipropyl 2,5-diphenylfuran-3,4-dicarboxylate (CID 141186958) is dipropyl 2,5-diphenylfuran-3,4-dicarboxylate.
What is the SMILES notation for dipropyl 2,5-diphenylfuran-3,4-dicarboxylate?
The canonical SMILES for dipropyl 2,5-diphenylfuran-3,4-dicarboxylate is CCCOC(=O)c1c(-c2ccccc2)oc(-c2ccccc2)c1C(=O)OCCC.
What is the InChIKey of dipropyl 2,5-diphenylfuran-3,4-dicarboxylate?
The InChIKey is OYNIACMTELVNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O5/c1-3-15-27-23(25)19-20(24(26)28-16-4-2)22(18-13-9-6-10-14-18)29-21(19)17-11-7-5-8-12-17/h5-14H,3-4,15-16H2,1-2H3.
What are the key properties of dipropyl 2,5-diphenylfuran-3,4-dicarboxylate?
dipropyl 2,5-diphenylfuran-3,4-dicarboxylate has a molecular weight of 392.45 g/mol, XLogP of 5.75, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipropyl 2,5-diphenylfuran-3,4-dicarboxylate is sourced from PubChem (CID 141186958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).