5',6'-dimethyl-6-propan-2-ylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione

C20H18O4 — CID 71653172

IUPAC5',6'-dimethyl-6-propan-2-ylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione
SMILESCc1cc2c(cc1C)C1(OC2=O)Oc2cc(C(C)C)ccc2C1=O
InChIInChI=1S/C20H18O4/c1-10(2)13-5-6-14-17(9-13)23-20(18(14)21)16-8-12(4)11(3)7-15(16)19(22)24-20/h5-10H,1-4H3
InChIKeyITNFAHXJJDJBMU-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.03
Rot. Bonds1

About 5',6'-dimethyl-6-propan-2-ylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione

5',6'-dimethyl-6-propan-2-ylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione (PubChem CID 71653172) has the molecular formula C20H18O4 and a molecular weight of 322.36 g/mol. Its IUPAC name is 5',6'-dimethyl-6-propan-2-ylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione.

Molecular Properties

Compound Name5',6'-dimethyl-6-propan-2-ylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione
PubChem CID71653172
Molecular FormulaC20H18O4
Molecular Weight322.36 g/mol
Exact Mass322.12
IUPAC Name5',6'-dimethyl-6-propan-2-ylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione
SMILESCc1cc2c(cc1C)C1(OC2=O)Oc2cc(C(C)C)ccc2C1=O
InChIInChI=1S/C20H18O4/c1-10(2)13-5-6-14-17(9-13)23-20(18(14)21)16-8-12(4)11(3)7-15(16)19(22)24-20/h5-10H,1-4H3
InChIKeyITNFAHXJJDJBMU-UHFFFAOYSA-N
XLogP4.03
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5',6'-dimethyl-6-propan-2-ylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione with MolForge

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Related Compounds

4b,9b-diamino-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one
CID 90097750
3'-methyl-6'-propan-2-ylspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 58112656
3',6'-bis(dimethylamino)-6-propan-2-ylspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 134168396
1-fluoro-4b,9b-dihydroxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one
CID 86716900
4b,9b-dihydroxy-2,3-dimethoxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one
CID 90097629
1,4-dimethyl-6-propan-2-ylazulene
CID 19861187
2',7'-dihydroxy-6-propan-2-ylspiro[2-benzofuran-3,10'-9H-anthracene]-1-one
CID 135141455
5-amino-9-propan-2-ylbenzo[b][1,4]benzoxazepin-6-one
CID 165380460
1,2-dimethyl-4-propan-2-ylbenzene;ethane
CID 142019921
7-propan-2-ylspiro[4H-isochromene-3,4'-piperidin-1-ium]-1-one chloride
CID 137374615
12,23-di(propan-2-yl)-29,30-dioxaoctacyclo[14.10.2.21,8.02,7.08,28.09,14.019,27.021,26]triaconta-2,4,6,9(14),10,12,16(28),17,19(27),21(26),22,24-dodecaene-15,20-dione
CID 101228418
2,2-difluoro-6-propan-2-yl-4H-1,4-benzoxazin-3-one
CID 58215878

Frequently Asked Questions

What is the IUPAC name of 5',6'-dimethyl-6-propan-2-ylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione?
The IUPAC name of 5',6'-dimethyl-6-propan-2-ylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione (CID 71653172) is 5',6'-dimethyl-6-propan-2-ylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione.
What is the SMILES notation for 5',6'-dimethyl-6-propan-2-ylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione?
The canonical SMILES for 5',6'-dimethyl-6-propan-2-ylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione is Cc1cc2c(cc1C)C1(OC2=O)Oc2cc(C(C)C)ccc2C1=O.
What is the InChIKey of 5',6'-dimethyl-6-propan-2-ylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione?
The InChIKey is ITNFAHXJJDJBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O4/c1-10(2)13-5-6-14-17(9-13)23-20(18(14)21)16-8-12(4)11(3)7-15(16)19(22)24-20/h5-10H,1-4H3.
What are the key properties of 5',6'-dimethyl-6-propan-2-ylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione?
5',6'-dimethyl-6-propan-2-ylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione has a molecular weight of 322.36 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5',6'-dimethyl-6-propan-2-ylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione is sourced from PubChem (CID 71653172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).