2-propan-2-yl-2,3-dihydrofuro[3,2-g]chromen-7-one

C14H14O3 — CID 57488100

IUPAC2-propan-2-yl-2,3-dihydrofuro[3,2-g]chromen-7-one
SMILESCC(C)C1Cc2cc3ccc(=O)oc3cc2O1
InChIInChI=1S/C14H14O3/c1-8(2)11-6-10-5-9-3-4-14(15)17-12(9)7-13(10)16-11/h3-5,7-8,11H,6H2,1-2H3
InChIKeyVKJKDESBYIGYTF-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.75
Rot. Bonds1

About 2-propan-2-yl-2,3-dihydrofuro[3,2-g]chromen-7-one

2-propan-2-yl-2,3-dihydrofuro[3,2-g]chromen-7-one (PubChem CID 57488100) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-propan-2-yl-2,3-dihydrofuro[3,2-g]chromen-7-one.

Molecular Properties

Compound Name2-propan-2-yl-2,3-dihydrofuro[3,2-g]chromen-7-one
PubChem CID57488100
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name2-propan-2-yl-2,3-dihydrofuro[3,2-g]chromen-7-one
SMILESCC(C)C1Cc2cc3ccc(=O)oc3cc2O1
InChIInChI=1S/C14H14O3/c1-8(2)11-6-10-5-9-3-4-14(15)17-12(9)7-13(10)16-11/h3-5,7-8,11H,6H2,1-2H3
InChIKeyVKJKDESBYIGYTF-UHFFFAOYSA-N
XLogP2.75
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.75
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-propan-2-yl-2,3-dihydrofuro[3,2-g]chromen-7-one?
The IUPAC name of 2-propan-2-yl-2,3-dihydrofuro[3,2-g]chromen-7-one (CID 57488100) is 2-propan-2-yl-2,3-dihydrofuro[3,2-g]chromen-7-one.
What is the SMILES notation for 2-propan-2-yl-2,3-dihydrofuro[3,2-g]chromen-7-one?
The canonical SMILES for 2-propan-2-yl-2,3-dihydrofuro[3,2-g]chromen-7-one is CC(C)C1Cc2cc3ccc(=O)oc3cc2O1.
What is the InChIKey of 2-propan-2-yl-2,3-dihydrofuro[3,2-g]chromen-7-one?
The InChIKey is VKJKDESBYIGYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-8(2)11-6-10-5-9-3-4-14(15)17-12(9)7-13(10)16-11/h3-5,7-8,11H,6H2,1-2H3.
What are the key properties of 2-propan-2-yl-2,3-dihydrofuro[3,2-g]chromen-7-one?
2-propan-2-yl-2,3-dihydrofuro[3,2-g]chromen-7-one has a molecular weight of 230.26 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-2,3-dihydrofuro[3,2-g]chromen-7-one is sourced from PubChem (CID 57488100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).