(2S)-5-hydroxy-2-(4-hydroxyphenyl)-8-(2-hydroxypropan-2-yl)-2,3,8,9-tetrahydrofuro[2,3-h]chromen-4-one

C20H20O6 — CID 5316782

IUPAC(2S)-5-hydroxy-2-(4-hydroxyphenyl)-8-(2-hydroxypropan-2-yl)-2,3,8,9-tetrahydrofuro[2,3-h]chromen-4-one
SMILESCC(C)(O)C1Cc2c(cc(O)c3c2O[C@H](c2ccc(O)cc2)CC3=O)O1
InChIInChI=1S/C20H20O6/c1-20(2,24)17-7-12-16(25-17)9-14(23)18-13(22)8-15(26-19(12)18)10-3-5-11(21)6-4-10/h3-6,9,15,17,21,23-24H,7-8H2,1-2H3/t15-,17?/m0/s1
InChIKeyZBVQSGGQLPHKKZ-MYJWUSKBSA-N
MW356.37 g/mol
LogP2.88
Rot. Bonds2

About (2S)-5-hydroxy-2-(4-hydroxyphenyl)-8-(2-hydroxypropan-2-yl)-2,3,8,9-tetrahydrofuro[2,3-h]chromen-4-one

(2S)-5-hydroxy-2-(4-hydroxyphenyl)-8-(2-hydroxypropan-2-yl)-2,3,8,9-tetrahydrofuro[2,3-h]chromen-4-one (PubChem CID 5316782) has the molecular formula C20H20O6 and a molecular weight of 356.37 g/mol. Its IUPAC name is (2S)-5-hydroxy-2-(4-hydroxyphenyl)-8-(2-hydroxypropan-2-yl)-2,3,8,9-tetrahydrofuro[2,3-h]chromen-4-one.

Molecular Properties

Compound Name(2S)-5-hydroxy-2-(4-hydroxyphenyl)-8-(2-hydroxypropan-2-yl)-2,3,8,9-tetrahydrofuro[2,3-h]chromen-4-one
PubChem CID5316782
Molecular FormulaC20H20O6
Molecular Weight356.37 g/mol
Exact Mass356.13
IUPAC Name(2S)-5-hydroxy-2-(4-hydroxyphenyl)-8-(2-hydroxypropan-2-yl)-2,3,8,9-tetrahydrofuro[2,3-h]chromen-4-one
SMILESCC(C)(O)C1Cc2c(cc(O)c3c2O[C@H](c2ccc(O)cc2)CC3=O)O1
InChIInChI=1S/C20H20O6/c1-20(2,24)17-7-12-16(25-17)9-14(23)18-13(22)8-15(26-19(12)18)10-3-5-11(21)6-4-10/h3-6,9,15,17,21,23-24H,7-8H2,1-2H3/t15-,17?/m0/s1
InChIKeyZBVQSGGQLPHKKZ-MYJWUSKBSA-N
XLogP2.88
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,8S)-5-hydroxy-2-(4-hydroxyphenyl)-8-(2-hydroxypropan-2-yl)-6-(3-methylbut-2-enyl)-2,3,8,9-tetrahydrofuro[2,3-h]chromen-4-one
CID 162998660
4-[(2S,8S)-8-(2-hydroxypropan-2-yl)-3,4,8,9-tetrahydro-2H-furo[2,3-h]chromen-2-yl]phenol
CID 162890441
4-[8-(2-hydroxypropan-2-yl)-3,4,8,9-tetrahydro-2H-furo[2,3-h]chromen-2-yl]phenol
CID 102369763
5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 932
6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-8-yl]-5,7-dihydroxy-2-(4-methylphenyl)-2,3-dihydrochromen-4-one
CID 75069473
5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;N,N-dimethylmethanamine
CID 174718034
(2S)-6-chloro-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 101143545
7-(2,3-dimethylbut-3-en-2-yloxy)-5-hydroxy-2-(4-hydroxyphenyl)-8-methyl-2,3-dihydrochromen-4-one
CID 126659209
7-ethyl-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 143737118
(2S)-5,7-dihydroxy-8-[(2R)-2-hydroxy-3-methylbut-3-enyl]-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 163187535
8-[(3R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 169238740
7,8-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 42607833

Frequently Asked Questions

What is the IUPAC name of (2S)-5-hydroxy-2-(4-hydroxyphenyl)-8-(2-hydroxypropan-2-yl)-2,3,8,9-tetrahydrofuro[2,3-h]chromen-4-one?
The IUPAC name of (2S)-5-hydroxy-2-(4-hydroxyphenyl)-8-(2-hydroxypropan-2-yl)-2,3,8,9-tetrahydrofuro[2,3-h]chromen-4-one (CID 5316782) is (2S)-5-hydroxy-2-(4-hydroxyphenyl)-8-(2-hydroxypropan-2-yl)-2,3,8,9-tetrahydrofuro[2,3-h]chromen-4-one.
What is the SMILES notation for (2S)-5-hydroxy-2-(4-hydroxyphenyl)-8-(2-hydroxypropan-2-yl)-2,3,8,9-tetrahydrofuro[2,3-h]chromen-4-one?
The canonical SMILES for (2S)-5-hydroxy-2-(4-hydroxyphenyl)-8-(2-hydroxypropan-2-yl)-2,3,8,9-tetrahydrofuro[2,3-h]chromen-4-one is CC(C)(O)C1Cc2c(cc(O)c3c2O[C@H](c2ccc(O)cc2)CC3=O)O1.
What is the InChIKey of (2S)-5-hydroxy-2-(4-hydroxyphenyl)-8-(2-hydroxypropan-2-yl)-2,3,8,9-tetrahydrofuro[2,3-h]chromen-4-one?
The InChIKey is ZBVQSGGQLPHKKZ-MYJWUSKBSA-N. The full InChI is InChI=1S/C20H20O6/c1-20(2,24)17-7-12-16(25-17)9-14(23)18-13(22)8-15(26-19(12)18)10-3-5-11(21)6-4-10/h3-6,9,15,17,21,23-24H,7-8H2,1-2H3/t15-,17?/m0/s1.
What are the key properties of (2S)-5-hydroxy-2-(4-hydroxyphenyl)-8-(2-hydroxypropan-2-yl)-2,3,8,9-tetrahydrofuro[2,3-h]chromen-4-one?
(2S)-5-hydroxy-2-(4-hydroxyphenyl)-8-(2-hydroxypropan-2-yl)-2,3,8,9-tetrahydrofuro[2,3-h]chromen-4-one has a molecular weight of 356.37 g/mol, XLogP of 2.88, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-hydroxy-2-(4-hydroxyphenyl)-8-(2-hydroxypropan-2-yl)-2,3,8,9-tetrahydrofuro[2,3-h]chromen-4-one is sourced from PubChem (CID 5316782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).