3',4,6'-trimethyl-4',5'-bis[(Z)-prop-1-enyl]spiro[furan-5,9'-xanthene]-2-one

C25H24O3 — CID 167214004

IUPAC3',4,6'-trimethyl-4',5'-bis[(Z)-prop-1-enyl]spiro[furan-5,9'-xanthene]-2-one
SMILESC/C=C\c1c(C)ccc2c1Oc1c(ccc(C)c1/C=C\C)C21OC(=O)C=C1C
InChIInChI=1S/C25H24O3/c1-6-8-18-15(3)10-12-20-23(18)27-24-19(9-7-2)16(4)11-13-21(24)25(20)17(5)14-22(26)28-25/h6-14H,1-5H3/b8-6-,9-7-
InChIKeyAGVZKGDBVLKSRM-VRHVFUOLSA-N
MW372.46 g/mol
LogP6.22
Rot. Bonds2

About 3',4,6'-trimethyl-4',5'-bis[(Z)-prop-1-enyl]spiro[furan-5,9'-xanthene]-2-one

3',4,6'-trimethyl-4',5'-bis[(Z)-prop-1-enyl]spiro[furan-5,9'-xanthene]-2-one (PubChem CID 167214004) has the molecular formula C25H24O3 and a molecular weight of 372.46 g/mol. Its IUPAC name is 3',4,6'-trimethyl-4',5'-bis[(Z)-prop-1-enyl]spiro[furan-5,9'-xanthene]-2-one.

Molecular Properties

Compound Name3',4,6'-trimethyl-4',5'-bis[(Z)-prop-1-enyl]spiro[furan-5,9'-xanthene]-2-one
PubChem CID167214004
Molecular FormulaC25H24O3
Molecular Weight372.46 g/mol
Exact Mass372.17
IUPAC Name3',4,6'-trimethyl-4',5'-bis[(Z)-prop-1-enyl]spiro[furan-5,9'-xanthene]-2-one
SMILESC/C=C\c1c(C)ccc2c1Oc1c(ccc(C)c1/C=C\C)C21OC(=O)C=C1C
InChIInChI=1S/C25H24O3/c1-6-8-18-15(3)10-12-20-23(18)27-24-19(9-7-2)16(4)11-13-21(24)25(20)17(5)14-22(26)28-25/h6-14H,1-5H3/b8-6-,9-7-
InChIKeyAGVZKGDBVLKSRM-VRHVFUOLSA-N
XLogP6.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.46
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3',4,6'-trimethyl-4',5'-bis[(Z)-prop-1-enyl]spiro[furan-5,9'-xanthene]-2-one?
The IUPAC name of 3',4,6'-trimethyl-4',5'-bis[(Z)-prop-1-enyl]spiro[furan-5,9'-xanthene]-2-one (CID 167214004) is 3',4,6'-trimethyl-4',5'-bis[(Z)-prop-1-enyl]spiro[furan-5,9'-xanthene]-2-one.
What is the SMILES notation for 3',4,6'-trimethyl-4',5'-bis[(Z)-prop-1-enyl]spiro[furan-5,9'-xanthene]-2-one?
The canonical SMILES for 3',4,6'-trimethyl-4',5'-bis[(Z)-prop-1-enyl]spiro[furan-5,9'-xanthene]-2-one is C/C=C\c1c(C)ccc2c1Oc1c(ccc(C)c1/C=C\C)C21OC(=O)C=C1C.
What is the InChIKey of 3',4,6'-trimethyl-4',5'-bis[(Z)-prop-1-enyl]spiro[furan-5,9'-xanthene]-2-one?
The InChIKey is AGVZKGDBVLKSRM-VRHVFUOLSA-N. The full InChI is InChI=1S/C25H24O3/c1-6-8-18-15(3)10-12-20-23(18)27-24-19(9-7-2)16(4)11-13-21(24)25(20)17(5)14-22(26)28-25/h6-14H,1-5H3/b8-6-,9-7-.
What are the key properties of 3',4,6'-trimethyl-4',5'-bis[(Z)-prop-1-enyl]spiro[furan-5,9'-xanthene]-2-one?
3',4,6'-trimethyl-4',5'-bis[(Z)-prop-1-enyl]spiro[furan-5,9'-xanthene]-2-one has a molecular weight of 372.46 g/mol, XLogP of 6.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3',4,6'-trimethyl-4',5'-bis[(Z)-prop-1-enyl]spiro[furan-5,9'-xanthene]-2-one is sourced from PubChem (CID 167214004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).