(2S)-2-(2-hydroxypropan-2-yl)-6-[2-[(2S)-oxiran-2-yl]propan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one

C19H22O5 — CID 162914355

IUPAC(2S)-2-(2-hydroxypropan-2-yl)-6-[2-[(2S)-oxiran-2-yl]propan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one
SMILESCC(C)(O)[C@@H]1Cc2cc3cc(C(C)(C)[C@H]4CO4)c(=O)oc3cc2O1
InChIInChI=1S/C19H22O5/c1-18(2,16-9-22-16)12-6-10-5-11-7-15(19(3,4)21)23-13(11)8-14(10)24-17(12)20/h5-6,8,15-16,21H,7,9H2,1-4H3/t15-,16+/m0/s1
InChIKeyGNKMBKJKLKPSKV-JKSUJKDBSA-N
MW330.38 g/mol
LogP2.54
Rot. Bonds3

About (2S)-2-(2-hydroxypropan-2-yl)-6-[2-[(2S)-oxiran-2-yl]propan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one

(2S)-2-(2-hydroxypropan-2-yl)-6-[2-[(2S)-oxiran-2-yl]propan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one (PubChem CID 162914355) has the molecular formula C19H22O5 and a molecular weight of 330.38 g/mol. Its IUPAC name is (2S)-2-(2-hydroxypropan-2-yl)-6-[2-[(2S)-oxiran-2-yl]propan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one.

Molecular Properties

Compound Name(2S)-2-(2-hydroxypropan-2-yl)-6-[2-[(2S)-oxiran-2-yl]propan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one
PubChem CID162914355
Molecular FormulaC19H22O5
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Name(2S)-2-(2-hydroxypropan-2-yl)-6-[2-[(2S)-oxiran-2-yl]propan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one
SMILESCC(C)(O)[C@@H]1Cc2cc3cc(C(C)(C)[C@H]4CO4)c(=O)oc3cc2O1
InChIInChI=1S/C19H22O5/c1-18(2,16-9-22-16)12-6-10-5-11-7-15(19(3,4)21)23-13(11)8-14(10)24-17(12)20/h5-6,8,15-16,21H,7,9H2,1-4H3/t15-,16+/m0/s1
InChIKeyGNKMBKJKLKPSKV-JKSUJKDBSA-N
XLogP2.54
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-hydroxypropan-2-yl)-6-[2-[(2S)-oxiran-2-yl]propan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one?
The IUPAC name of (2S)-2-(2-hydroxypropan-2-yl)-6-[2-[(2S)-oxiran-2-yl]propan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one (CID 162914355) is (2S)-2-(2-hydroxypropan-2-yl)-6-[2-[(2S)-oxiran-2-yl]propan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one.
What is the SMILES notation for (2S)-2-(2-hydroxypropan-2-yl)-6-[2-[(2S)-oxiran-2-yl]propan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one?
The canonical SMILES for (2S)-2-(2-hydroxypropan-2-yl)-6-[2-[(2S)-oxiran-2-yl]propan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one is CC(C)(O)[C@@H]1Cc2cc3cc(C(C)(C)[C@H]4CO4)c(=O)oc3cc2O1.
What is the InChIKey of (2S)-2-(2-hydroxypropan-2-yl)-6-[2-[(2S)-oxiran-2-yl]propan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one?
The InChIKey is GNKMBKJKLKPSKV-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H22O5/c1-18(2,16-9-22-16)12-6-10-5-11-7-15(19(3,4)21)23-13(11)8-14(10)24-17(12)20/h5-6,8,15-16,21H,7,9H2,1-4H3/t15-,16+/m0/s1.
What are the key properties of (2S)-2-(2-hydroxypropan-2-yl)-6-[2-[(2S)-oxiran-2-yl]propan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one?
(2S)-2-(2-hydroxypropan-2-yl)-6-[2-[(2S)-oxiran-2-yl]propan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one has a molecular weight of 330.38 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-hydroxypropan-2-yl)-6-[2-[(2S)-oxiran-2-yl]propan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one is sourced from PubChem (CID 162914355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).