(2S)-5-hydroxy-6,8,8-trimethyl-2-phenyl-2,3-dihydropyrano[2,3-h]chromen-4-one

C21H20O4 — CID 102434194

IUPAC(2S)-5-hydroxy-6,8,8-trimethyl-2-phenyl-2,3-dihydropyrano[2,3-h]chromen-4-one
SMILESCc1c(O)c2c(c3c1OC(C)(C)C=C3)O[C@H](c1ccccc1)CC2=O
InChIInChI=1S/C21H20O4/c1-12-18(23)17-15(22)11-16(13-7-5-4-6-8-13)24-20(17)14-9-10-21(2,3)25-19(12)14/h4-10,16,23H,11H2,1-3H3/t16-/m0/s1
InChIKeyRCEBEXFQGQFZFV-INIZCTEOSA-N
MW336.39 g/mol
LogP4.59
Rot. Bonds1

About (2S)-5-hydroxy-6,8,8-trimethyl-2-phenyl-2,3-dihydropyrano[2,3-h]chromen-4-one

(2S)-5-hydroxy-6,8,8-trimethyl-2-phenyl-2,3-dihydropyrano[2,3-h]chromen-4-one (PubChem CID 102434194) has the molecular formula C21H20O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is (2S)-5-hydroxy-6,8,8-trimethyl-2-phenyl-2,3-dihydropyrano[2,3-h]chromen-4-one.

Molecular Properties

Compound Name(2S)-5-hydroxy-6,8,8-trimethyl-2-phenyl-2,3-dihydropyrano[2,3-h]chromen-4-one
PubChem CID102434194
Molecular FormulaC21H20O4
Molecular Weight336.39 g/mol
Exact Mass336.14
IUPAC Name(2S)-5-hydroxy-6,8,8-trimethyl-2-phenyl-2,3-dihydropyrano[2,3-h]chromen-4-one
SMILESCc1c(O)c2c(c3c1OC(C)(C)C=C3)O[C@H](c1ccccc1)CC2=O
InChIInChI=1S/C21H20O4/c1-12-18(23)17-15(22)11-16(13-7-5-4-6-8-13)24-20(17)14-9-10-21(2,3)25-19(12)14/h4-10,16,23H,11H2,1-3H3/t16-/m0/s1
InChIKeyRCEBEXFQGQFZFV-INIZCTEOSA-N
XLogP4.59
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-2-phenyl-2,3-dihydropyrano[2,3-h]chromen-4-one
CID 42607884
4-(4-hydroxyphenyl)-10,10,16,16-tetramethyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),8(13),11,17-pentaen-6-one
CID 162923087
6-[(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-5-hydroxy-2,2-dimethyl-8-phenyl-8,9-dihydropyrano[2,3-f]chromen-10-one
CID 5318656
5,7a-dihydroxy-6,8,8,10,10-pentamethyl-2,12-diphenyl-2,3,11a,12-tetrahydropyrano[2,3-a]xanthene-4,9,11-trione
CID 73194135
(2R,12R)-5-hydroxy-6,8,8,10,10-pentamethyl-2-phenyl-12-propan-2-yl-3,12-dihydro-2H-pyrano[2,3-a]xanthene-4,9,11-trione
CID 162967343
(8S)-2,2-dimethyl-10-(3-methylbut-2-enyl)-8-phenyl-7,8-dihydropyrano[3,2-g]chromen-6-one
CID 162875405
8-(3,4-dihydroxyphenyl)-5-hydroxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one
CID 12049756
8-(3,5-dihydroxyphenyl)-5-hydroxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one
CID 162912592
(3S)-5-hydroxy-3-(5-hydroxy-2,2-dimethylchromen-8-yl)-6,8,8-trimethyl-2,3-dihydropyrano[2,3-h]chromen-4-one
CID 162849320
5-hydroxy-3-(5-hydroxy-2,2-dimethylchromen-8-yl)-6,8,8-trimethyl-2,3-dihydropyrano[2,3-h]chromen-4-one
CID 162849319
5-phenyloxolane-2,3-dione
CID 14450727
(2R)-6,8-bis[(2,3-dihydroxyphenyl)methyl]-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one
CID 38360858

Frequently Asked Questions

What is the IUPAC name of (2S)-5-hydroxy-6,8,8-trimethyl-2-phenyl-2,3-dihydropyrano[2,3-h]chromen-4-one?
The IUPAC name of (2S)-5-hydroxy-6,8,8-trimethyl-2-phenyl-2,3-dihydropyrano[2,3-h]chromen-4-one (CID 102434194) is (2S)-5-hydroxy-6,8,8-trimethyl-2-phenyl-2,3-dihydropyrano[2,3-h]chromen-4-one.
What is the SMILES notation for (2S)-5-hydroxy-6,8,8-trimethyl-2-phenyl-2,3-dihydropyrano[2,3-h]chromen-4-one?
The canonical SMILES for (2S)-5-hydroxy-6,8,8-trimethyl-2-phenyl-2,3-dihydropyrano[2,3-h]chromen-4-one is Cc1c(O)c2c(c3c1OC(C)(C)C=C3)O[C@H](c1ccccc1)CC2=O.
What is the InChIKey of (2S)-5-hydroxy-6,8,8-trimethyl-2-phenyl-2,3-dihydropyrano[2,3-h]chromen-4-one?
The InChIKey is RCEBEXFQGQFZFV-INIZCTEOSA-N. The full InChI is InChI=1S/C21H20O4/c1-12-18(23)17-15(22)11-16(13-7-5-4-6-8-13)24-20(17)14-9-10-21(2,3)25-19(12)14/h4-10,16,23H,11H2,1-3H3/t16-/m0/s1.
What are the key properties of (2S)-5-hydroxy-6,8,8-trimethyl-2-phenyl-2,3-dihydropyrano[2,3-h]chromen-4-one?
(2S)-5-hydroxy-6,8,8-trimethyl-2-phenyl-2,3-dihydropyrano[2,3-h]chromen-4-one has a molecular weight of 336.39 g/mol, XLogP of 4.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-hydroxy-6,8,8-trimethyl-2-phenyl-2,3-dihydropyrano[2,3-h]chromen-4-one is sourced from PubChem (CID 102434194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).