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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Related Compounds

(2R)-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one
CID 26305
(3R)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-8-one
CID 1150962
2-(7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl)propan-2-yl 2,3-dihydroxy-2-methylbutanoate
CID 163018446
6-methyl-2-propan-2-yl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran
CID 70811025
(2,2-dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl) acetate
CID 24864690
2-[(2R)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl 2-(2-hydroxyethyl)but-2-enoate
CID 162805696
2-prop-1-en-2-yl-2,3-dihydropyrano[2,3-g][1,4]benzodioxin-7-one
CID 5018929
6-ethyl-2-propan-2-yl-2,3,5,6-tetrahydrofuro[3,2-f][1]benzofuran
CID 91196081
3-(hydroxymethyl)-2,3-dihydropyrano[3,2-g][1,4]benzodioxin-7-one
CID 22664924
(2R)-2-[2-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one
CID 163010281
(3R)-2,2-dimethyl-3-(2-methylprop-2-enoxy)-3,4-dihydropyrano[3,2-g]chromen-8-one
CID 45137417
(2S)-2-[(1R)-1-hydroxy-1-[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-2,3-dihydrofuro[3,2-g]chromen-7-one
CID 162954241

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).