2,5,9-trimethyl-5,6-dihydrofuro[3,2-g]chromen-7-one

C14H14O3 — CID 15725638

IUPAC2,5,9-trimethyl-5,6-dihydrofuro[3,2-g]chromen-7-one
SMILESCc1cc2cc3c(c(C)c2o1)OC(=O)CC3C
InChIInChI=1S/C14H14O3/c1-7-4-12(15)17-14-9(3)13-10(6-11(7)14)5-8(2)16-13/h5-7H,4H2,1-3H3
InChIKeyGKWGUOABELCTSZ-UHFFFAOYSA-N
MW230.26 g/mol
LogP3.46
Rot. Bonds

About 2,5,9-trimethyl-5,6-dihydrofuro[3,2-g]chromen-7-one

2,5,9-trimethyl-5,6-dihydrofuro[3,2-g]chromen-7-one (PubChem CID 15725638) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2,5,9-trimethyl-5,6-dihydrofuro[3,2-g]chromen-7-one.

Molecular Properties

Compound Name2,5,9-trimethyl-5,6-dihydrofuro[3,2-g]chromen-7-one
PubChem CID15725638
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name2,5,9-trimethyl-5,6-dihydrofuro[3,2-g]chromen-7-one
SMILESCc1cc2cc3c(c(C)c2o1)OC(=O)CC3C
InChIInChI=1S/C14H14O3/c1-7-4-12(15)17-14-9(3)13-10(6-11(7)14)5-8(2)16-13/h5-7H,4H2,1-3H3
InChIKeyGKWGUOABELCTSZ-UHFFFAOYSA-N
XLogP3.46
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5,9-trimethyl-5,6-dihydrofuro[3,2-g]chromen-7-one?
The IUPAC name of 2,5,9-trimethyl-5,6-dihydrofuro[3,2-g]chromen-7-one (CID 15725638) is 2,5,9-trimethyl-5,6-dihydrofuro[3,2-g]chromen-7-one.
What is the SMILES notation for 2,5,9-trimethyl-5,6-dihydrofuro[3,2-g]chromen-7-one?
The canonical SMILES for 2,5,9-trimethyl-5,6-dihydrofuro[3,2-g]chromen-7-one is Cc1cc2cc3c(c(C)c2o1)OC(=O)CC3C.
What is the InChIKey of 2,5,9-trimethyl-5,6-dihydrofuro[3,2-g]chromen-7-one?
The InChIKey is GKWGUOABELCTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-7-4-12(15)17-14-9(3)13-10(6-11(7)14)5-8(2)16-13/h5-7H,4H2,1-3H3.
What are the key properties of 2,5,9-trimethyl-5,6-dihydrofuro[3,2-g]chromen-7-one?
2,5,9-trimethyl-5,6-dihydrofuro[3,2-g]chromen-7-one has a molecular weight of 230.26 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,9-trimethyl-5,6-dihydrofuro[3,2-g]chromen-7-one is sourced from PubChem (CID 15725638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).