4'-(3-chlorophenyl)spiro[2-benzofuran-3,2'-furan]-1,3'-dione

C17H9ClO4 — CID 23454353

IUPAC4'-(3-chlorophenyl)spiro[2-benzofuran-3,2'-furan]-1,3'-dione
SMILESO=C1OC2(OC=C(c3cccc(Cl)c3)C2=O)c2ccccc21
InChIInChI=1S/C17H9ClO4/c18-11-5-3-4-10(8-11)13-9-21-17(15(13)19)14-7-2-1-6-12(14)16(20)22-17/h1-9H
InChIKeySRLXNXVBFOVYIV-UHFFFAOYSA-N
MW312.71 g/mol
LogP3.30
Rot. Bonds1

About 4'-(3-chlorophenyl)spiro[2-benzofuran-3,2'-furan]-1,3'-dione

4'-(3-chlorophenyl)spiro[2-benzofuran-3,2'-furan]-1,3'-dione (PubChem CID 23454353) has the molecular formula C17H9ClO4 and a molecular weight of 312.71 g/mol. Its IUPAC name is 4'-(3-chlorophenyl)spiro[2-benzofuran-3,2'-furan]-1,3'-dione.

Molecular Properties

Compound Name4'-(3-chlorophenyl)spiro[2-benzofuran-3,2'-furan]-1,3'-dione
PubChem CID23454353
Molecular FormulaC17H9ClO4
Molecular Weight312.71 g/mol
Exact Mass312.02
IUPAC Name4'-(3-chlorophenyl)spiro[2-benzofuran-3,2'-furan]-1,3'-dione
SMILESO=C1OC2(OC=C(c3cccc(Cl)c3)C2=O)c2ccccc21
InChIInChI=1S/C17H9ClO4/c18-11-5-3-4-10(8-11)13-9-21-17(15(13)19)14-7-2-1-6-12(14)16(20)22-17/h1-9H
InChIKeySRLXNXVBFOVYIV-UHFFFAOYSA-N
XLogP3.30
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.71
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chlorophenoxy)-3-phenyl-2-benzofuran-1-one
CID 102060867
1-chloro-3-(2-phenylphenyl)benzene
CID 69293962
1'-(3-chlorophenyl)-9,9'-spirobi[fluorene]
CID 130380122
2-amino-3-(3-chlorophenyl)naphthalene-1,4-dione
CID 90646353
4'-[2-(3-chlorophenyl)phenyl]-9,9'-spirobi[fluorene]
CID 156524901
2-chloro-1,3-bis(3-chlorophenyl)benzene
CID 54080795
2'-chloro-5'-(3-chlorophenyl)-9,9'-spirobi[fluorene]
CID 137448777
5,6-bis(3-chlorophenyl)-1,4-dihydropyrazine-2,3-dione
CID 132588453
3-chloro-3-iodo-2-benzofuran-1-one
CID 121481458
3,3-bis(3-hydroxyphenyl)-2-benzofuran-1-one
CID 59806850
2-(3-chlorophenyl)-1,3,5-triphenylbenzene
CID 169275191
3,3-bis(trifluoromethyl)-2-benzofuran-1-one
CID 15146487

Frequently Asked Questions

What is the IUPAC name of 4'-(3-chlorophenyl)spiro[2-benzofuran-3,2'-furan]-1,3'-dione?
The IUPAC name of 4'-(3-chlorophenyl)spiro[2-benzofuran-3,2'-furan]-1,3'-dione (CID 23454353) is 4'-(3-chlorophenyl)spiro[2-benzofuran-3,2'-furan]-1,3'-dione.
What is the SMILES notation for 4'-(3-chlorophenyl)spiro[2-benzofuran-3,2'-furan]-1,3'-dione?
The canonical SMILES for 4'-(3-chlorophenyl)spiro[2-benzofuran-3,2'-furan]-1,3'-dione is O=C1OC2(OC=C(c3cccc(Cl)c3)C2=O)c2ccccc21.
What is the InChIKey of 4'-(3-chlorophenyl)spiro[2-benzofuran-3,2'-furan]-1,3'-dione?
The InChIKey is SRLXNXVBFOVYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClO4/c18-11-5-3-4-10(8-11)13-9-21-17(15(13)19)14-7-2-1-6-12(14)16(20)22-17/h1-9H.
What are the key properties of 4'-(3-chlorophenyl)spiro[2-benzofuran-3,2'-furan]-1,3'-dione?
4'-(3-chlorophenyl)spiro[2-benzofuran-3,2'-furan]-1,3'-dione has a molecular weight of 312.71 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-(3-chlorophenyl)spiro[2-benzofuran-3,2'-furan]-1,3'-dione is sourced from PubChem (CID 23454353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).