(2S)-4-hydroxy-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-7-one

C14H12O4 — CID 155924527

IUPAC(2S)-4-hydroxy-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-7-one
SMILESC=C(C)[C@@H]1Cc2c(cc3oc(=O)ccc3c2O)O1
InChIInChI=1S/C14H12O4/c1-7(2)10-5-9-12(17-10)6-11-8(14(9)16)3-4-13(15)18-11/h3-4,6,10,16H,1,5H2,2H3/t10-/m0/s1
InChIKeyKGVOEEZUDJJYRJ-JTQLQIEISA-N
MW244.25 g/mol
LogP2.38
Rot. Bonds1

About (2S)-4-hydroxy-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-7-one

(2S)-4-hydroxy-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-7-one (PubChem CID 155924527) has the molecular formula C14H12O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is (2S)-4-hydroxy-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-7-one.

Molecular Properties

Compound Name(2S)-4-hydroxy-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-7-one
PubChem CID155924527
Molecular FormulaC14H12O4
Molecular Weight244.25 g/mol
Exact Mass244.07
IUPAC Name(2S)-4-hydroxy-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-7-one
SMILESC=C(C)[C@@H]1Cc2c(cc3oc(=O)ccc3c2O)O1
InChIInChI=1S/C14H12O4/c1-7(2)10-5-9-12(17-10)6-11-8(14(9)16)3-4-13(15)18-11/h3-4,6,10,16H,1,5H2,2H3/t10-/m0/s1
InChIKeyKGVOEEZUDJJYRJ-JTQLQIEISA-N
XLogP2.38
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-7-one?
The IUPAC name of (2S)-4-hydroxy-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-7-one (CID 155924527) is (2S)-4-hydroxy-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-7-one.
What is the SMILES notation for (2S)-4-hydroxy-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-7-one?
The canonical SMILES for (2S)-4-hydroxy-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-7-one is C=C(C)[C@@H]1Cc2c(cc3oc(=O)ccc3c2O)O1.
What is the InChIKey of (2S)-4-hydroxy-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-7-one?
The InChIKey is KGVOEEZUDJJYRJ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H12O4/c1-7(2)10-5-9-12(17-10)6-11-8(14(9)16)3-4-13(15)18-11/h3-4,6,10,16H,1,5H2,2H3/t10-/m0/s1.
What are the key properties of (2S)-4-hydroxy-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-7-one?
(2S)-4-hydroxy-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-7-one has a molecular weight of 244.25 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-7-one is sourced from PubChem (CID 155924527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).