2,3,5-trimethyl-6-propan-2-ylfuro[3,2-g]chromen-7-one

C17H18O3 — CID 907565

IUPAC2,3,5-trimethyl-6-propan-2-ylfuro[3,2-g]chromen-7-one
SMILESCc1oc2cc3oc(=O)c(C(C)C)c(C)c3cc2c1C
InChIInChI=1S/C17H18O3/c1-8(2)16-10(4)13-6-12-9(3)11(5)19-14(12)7-15(13)20-17(16)18/h6-8H,1-5H3
InChIKeyDTHOJIMZBJAWGT-UHFFFAOYSA-N
MW270.33 g/mol
LogP4.59
Rot. Bonds1

About 2,3,5-trimethyl-6-propan-2-ylfuro[3,2-g]chromen-7-one

2,3,5-trimethyl-6-propan-2-ylfuro[3,2-g]chromen-7-one (PubChem CID 907565) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2,3,5-trimethyl-6-propan-2-ylfuro[3,2-g]chromen-7-one.

Molecular Properties

Compound Name2,3,5-trimethyl-6-propan-2-ylfuro[3,2-g]chromen-7-one
PubChem CID907565
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name2,3,5-trimethyl-6-propan-2-ylfuro[3,2-g]chromen-7-one
SMILESCc1oc2cc3oc(=O)c(C(C)C)c(C)c3cc2c1C
InChIInChI=1S/C17H18O3/c1-8(2)16-10(4)13-6-12-9(3)11(5)19-14(12)7-15(13)20-17(16)18/h6-8H,1-5H3
InChIKeyDTHOJIMZBJAWGT-UHFFFAOYSA-N
XLogP4.59
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethyl-6-propan-2-ylfuro[3,2-g]chromen-7-one?
The IUPAC name of 2,3,5-trimethyl-6-propan-2-ylfuro[3,2-g]chromen-7-one (CID 907565) is 2,3,5-trimethyl-6-propan-2-ylfuro[3,2-g]chromen-7-one.
What is the SMILES notation for 2,3,5-trimethyl-6-propan-2-ylfuro[3,2-g]chromen-7-one?
The canonical SMILES for 2,3,5-trimethyl-6-propan-2-ylfuro[3,2-g]chromen-7-one is Cc1oc2cc3oc(=O)c(C(C)C)c(C)c3cc2c1C.
What is the InChIKey of 2,3,5-trimethyl-6-propan-2-ylfuro[3,2-g]chromen-7-one?
The InChIKey is DTHOJIMZBJAWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-8(2)16-10(4)13-6-12-9(3)11(5)19-14(12)7-15(13)20-17(16)18/h6-8H,1-5H3.
What are the key properties of 2,3,5-trimethyl-6-propan-2-ylfuro[3,2-g]chromen-7-one?
2,3,5-trimethyl-6-propan-2-ylfuro[3,2-g]chromen-7-one has a molecular weight of 270.33 g/mol, XLogP of 4.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethyl-6-propan-2-ylfuro[3,2-g]chromen-7-one is sourced from PubChem (CID 907565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).