(7R,8S)-5-hydroxy-8-(2-hydroxyphenyl)-7-methoxy-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one

C21H20O6 — CID 163019968

IUPAC(7R,8S)-5-hydroxy-8-(2-hydroxyphenyl)-7-methoxy-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one
SMILESCO[C@H]1C(=O)c2c(cc3c(c2O)C=CC(C)(C)O3)O[C@H]1c1ccccc1O
InChIInChI=1S/C21H20O6/c1-21(2)9-8-12-14(27-21)10-15-16(17(12)23)18(24)20(25-3)19(26-15)11-6-4-5-7-13(11)22/h4-10,19-20,22-23H,1-3H3/t19-,20-/m0/s1
InChIKeySHVNMDGYHQHAIC-PMACEKPBSA-N
MW368.39 g/mol
LogP3.61
Rot. Bonds2

About (7R,8S)-5-hydroxy-8-(2-hydroxyphenyl)-7-methoxy-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one

(7R,8S)-5-hydroxy-8-(2-hydroxyphenyl)-7-methoxy-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one (PubChem CID 163019968) has the molecular formula C21H20O6 and a molecular weight of 368.39 g/mol. Its IUPAC name is (7R,8S)-5-hydroxy-8-(2-hydroxyphenyl)-7-methoxy-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one.

Molecular Properties

Compound Name(7R,8S)-5-hydroxy-8-(2-hydroxyphenyl)-7-methoxy-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one
PubChem CID163019968
Molecular FormulaC21H20O6
Molecular Weight368.39 g/mol
Exact Mass368.13
IUPAC Name(7R,8S)-5-hydroxy-8-(2-hydroxyphenyl)-7-methoxy-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one
SMILESCO[C@H]1C(=O)c2c(cc3c(c2O)C=CC(C)(C)O3)O[C@H]1c1ccccc1O
InChIInChI=1S/C21H20O6/c1-21(2)9-8-12-14(27-21)10-15-16(17(12)23)18(24)20(25-3)19(26-15)11-6-4-5-7-13(11)22/h4-10,19-20,22-23H,1-3H3/t19-,20-/m0/s1
InChIKeySHVNMDGYHQHAIC-PMACEKPBSA-N
XLogP3.61
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(7R,8R)-8-(2,4-dihydroxyphenyl)-5,7-dihydroxy-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one
CID 71473387
(7S,8S)-5,7-dihydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one
CID 163070313
2,2,8,8-tetramethylpyrano[3,2-g]chromen-5-ol
CID 86035847
5-hydroxy-2,2-dimethyl-8H-furo[3,4-g]chromen-6-one
CID 636462
(2R,3S)-3-hydroxy-5-methoxy-8,8-dimethyl-2-phenyl-2,3-dihydropyrano[2,3-h]chromen-4-one
CID 132988935
5,7-dihydroxy-3-methoxy-2-phenyl-2,3-dihydrochromen-4-one
CID 14794877
3,5-dihydroxy-2-(4-methoxyphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one
CID 102440104
1-(5-hydroxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)ethanone
CID 118199612
7,7-dimethyl-8-oxatetracyclo[24.2.2.02,11.04,9]triaconta-1(28),2,4(9),5,10,26,29-heptaene-3,28,29-triol
CID 24761005
5,7-dihydroxy-3-methoxy-2-(2,3,4,5,6-pentamethylphenyl)-2,3-dihydrochromen-4-one
CID 22954416
6-hydroxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one
CID 5479541
[(7R,8R)-5-hydroxy-10-[(2S)-2-hydroxy-3-methylbut-3-enyl]-2,2-dimethyl-6-oxo-8-phenyl-7,8-dihydropyrano[3,2-g]chromen-7-yl] (2R)-2-methoxy-2-phenylacetate
CID 54763578

Frequently Asked Questions

What is the IUPAC name of (7R,8S)-5-hydroxy-8-(2-hydroxyphenyl)-7-methoxy-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one?
The IUPAC name of (7R,8S)-5-hydroxy-8-(2-hydroxyphenyl)-7-methoxy-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one (CID 163019968) is (7R,8S)-5-hydroxy-8-(2-hydroxyphenyl)-7-methoxy-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one.
What is the SMILES notation for (7R,8S)-5-hydroxy-8-(2-hydroxyphenyl)-7-methoxy-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one?
The canonical SMILES for (7R,8S)-5-hydroxy-8-(2-hydroxyphenyl)-7-methoxy-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one is CO[C@H]1C(=O)c2c(cc3c(c2O)C=CC(C)(C)O3)O[C@H]1c1ccccc1O.
What is the InChIKey of (7R,8S)-5-hydroxy-8-(2-hydroxyphenyl)-7-methoxy-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one?
The InChIKey is SHVNMDGYHQHAIC-PMACEKPBSA-N. The full InChI is InChI=1S/C21H20O6/c1-21(2)9-8-12-14(27-21)10-15-16(17(12)23)18(24)20(25-3)19(26-15)11-6-4-5-7-13(11)22/h4-10,19-20,22-23H,1-3H3/t19-,20-/m0/s1.
What are the key properties of (7R,8S)-5-hydroxy-8-(2-hydroxyphenyl)-7-methoxy-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one?
(7R,8S)-5-hydroxy-8-(2-hydroxyphenyl)-7-methoxy-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one has a molecular weight of 368.39 g/mol, XLogP of 3.61, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8S)-5-hydroxy-8-(2-hydroxyphenyl)-7-methoxy-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one is sourced from PubChem (CID 163019968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).