(2R)-4-hydroxy-2-(2-hydroxypropan-2-yl)-6-(4-methoxyphenyl)-9-(3-methylbut-2-enyl)-2,3-dihydrofuro[3,2-g]chromen-5-one

C26H28O6 — CID 162876300

IUPAC(2R)-4-hydroxy-2-(2-hydroxypropan-2-yl)-6-(4-methoxyphenyl)-9-(3-methylbut-2-enyl)-2,3-dihydrofuro[3,2-g]chromen-5-one
SMILESCOc1ccc(-c2coc3c(CC=C(C)C)c4c(c(O)c3c2=O)C[C@H](C(C)(C)O)O4)cc1
InChIInChI=1S/C26H28O6/c1-14(2)6-11-17-24-18(12-20(32-24)26(3,4)29)22(27)21-23(28)19(13-31-25(17)21)15-7-9-16(30-5)10-8-15/h6-10,13,20,27,29H,11-12H2,1-5H3/t20-/m1/s1
InChIKeyXLQOTOILLUZZLY-HXUWFJFHSA-N
MW436.50 g/mol
LogP4.76
Rot. Bonds5

About (2R)-4-hydroxy-2-(2-hydroxypropan-2-yl)-6-(4-methoxyphenyl)-9-(3-methylbut-2-enyl)-2,3-dihydrofuro[3,2-g]chromen-5-one

(2R)-4-hydroxy-2-(2-hydroxypropan-2-yl)-6-(4-methoxyphenyl)-9-(3-methylbut-2-enyl)-2,3-dihydrofuro[3,2-g]chromen-5-one (PubChem CID 162876300) has the molecular formula C26H28O6 and a molecular weight of 436.50 g/mol. Its IUPAC name is (2R)-4-hydroxy-2-(2-hydroxypropan-2-yl)-6-(4-methoxyphenyl)-9-(3-methylbut-2-enyl)-2,3-dihydrofuro[3,2-g]chromen-5-one.

Molecular Properties

Compound Name(2R)-4-hydroxy-2-(2-hydroxypropan-2-yl)-6-(4-methoxyphenyl)-9-(3-methylbut-2-enyl)-2,3-dihydrofuro[3,2-g]chromen-5-one
PubChem CID162876300
Molecular FormulaC26H28O6
Molecular Weight436.50 g/mol
Exact Mass436.19
IUPAC Name(2R)-4-hydroxy-2-(2-hydroxypropan-2-yl)-6-(4-methoxyphenyl)-9-(3-methylbut-2-enyl)-2,3-dihydrofuro[3,2-g]chromen-5-one
SMILESCOc1ccc(-c2coc3c(CC=C(C)C)c4c(c(O)c3c2=O)C[C@H](C(C)(C)O)O4)cc1
InChIInChI=1S/C26H28O6/c1-14(2)6-11-17-24-18(12-20(32-24)26(3,4)29)22(27)21-23(28)19(13-31-25(17)21)15-7-9-16(30-5)10-8-15/h6-10,13,20,27,29H,11-12H2,1-5H3/t20-/m1/s1
InChIKeyXLQOTOILLUZZLY-HXUWFJFHSA-N
XLogP4.76
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.50
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-2-(2-hydroxypropan-2-yl)-6-(4-methoxyphenyl)-9-(3-methylbut-2-enyl)-2,3-dihydrofuro[3,2-g]chromen-5-one?
The IUPAC name of (2R)-4-hydroxy-2-(2-hydroxypropan-2-yl)-6-(4-methoxyphenyl)-9-(3-methylbut-2-enyl)-2,3-dihydrofuro[3,2-g]chromen-5-one (CID 162876300) is (2R)-4-hydroxy-2-(2-hydroxypropan-2-yl)-6-(4-methoxyphenyl)-9-(3-methylbut-2-enyl)-2,3-dihydrofuro[3,2-g]chromen-5-one.
What is the SMILES notation for (2R)-4-hydroxy-2-(2-hydroxypropan-2-yl)-6-(4-methoxyphenyl)-9-(3-methylbut-2-enyl)-2,3-dihydrofuro[3,2-g]chromen-5-one?
The canonical SMILES for (2R)-4-hydroxy-2-(2-hydroxypropan-2-yl)-6-(4-methoxyphenyl)-9-(3-methylbut-2-enyl)-2,3-dihydrofuro[3,2-g]chromen-5-one is COc1ccc(-c2coc3c(CC=C(C)C)c4c(c(O)c3c2=O)C[C@H](C(C)(C)O)O4)cc1.
What is the InChIKey of (2R)-4-hydroxy-2-(2-hydroxypropan-2-yl)-6-(4-methoxyphenyl)-9-(3-methylbut-2-enyl)-2,3-dihydrofuro[3,2-g]chromen-5-one?
The InChIKey is XLQOTOILLUZZLY-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H28O6/c1-14(2)6-11-17-24-18(12-20(32-24)26(3,4)29)22(27)21-23(28)19(13-31-25(17)21)15-7-9-16(30-5)10-8-15/h6-10,13,20,27,29H,11-12H2,1-5H3/t20-/m1/s1.
What are the key properties of (2R)-4-hydroxy-2-(2-hydroxypropan-2-yl)-6-(4-methoxyphenyl)-9-(3-methylbut-2-enyl)-2,3-dihydrofuro[3,2-g]chromen-5-one?
(2R)-4-hydroxy-2-(2-hydroxypropan-2-yl)-6-(4-methoxyphenyl)-9-(3-methylbut-2-enyl)-2,3-dihydrofuro[3,2-g]chromen-5-one has a molecular weight of 436.50 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-hydroxy-2-(2-hydroxypropan-2-yl)-6-(4-methoxyphenyl)-9-(3-methylbut-2-enyl)-2,3-dihydrofuro[3,2-g]chromen-5-one is sourced from PubChem (CID 162876300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).