(8S)-2,2-dimethyl-10-(3-methylbut-2-enyl)-8-phenyl-7,8-dihydropyrano[3,2-g]chromen-6-one

C25H26O3 — CID 162875405

IUPAC(8S)-2,2-dimethyl-10-(3-methylbut-2-enyl)-8-phenyl-7,8-dihydropyrano[3,2-g]chromen-6-one
SMILESCC(C)=CCc1c2c(cc3c1O[C@H](c1ccccc1)CC3=O)C=CC(C)(C)O2
InChIInChI=1S/C25H26O3/c1-16(2)10-11-19-23-18(12-13-25(3,4)28-23)14-20-21(26)15-22(27-24(19)20)17-8-6-5-7-9-17/h5-10,12-14,22H,11,15H2,1-4H3/t22-/m0/s1
InChIKeyVBTDTADYYPMGAF-QFIPXVFZSA-N
MW374.48 g/mol
LogP6.09
Rot. Bonds3

About (8S)-2,2-dimethyl-10-(3-methylbut-2-enyl)-8-phenyl-7,8-dihydropyrano[3,2-g]chromen-6-one

(8S)-2,2-dimethyl-10-(3-methylbut-2-enyl)-8-phenyl-7,8-dihydropyrano[3,2-g]chromen-6-one (PubChem CID 162875405) has the molecular formula C25H26O3 and a molecular weight of 374.48 g/mol. Its IUPAC name is (8S)-2,2-dimethyl-10-(3-methylbut-2-enyl)-8-phenyl-7,8-dihydropyrano[3,2-g]chromen-6-one.

Molecular Properties

Compound Name(8S)-2,2-dimethyl-10-(3-methylbut-2-enyl)-8-phenyl-7,8-dihydropyrano[3,2-g]chromen-6-one
PubChem CID162875405
Molecular FormulaC25H26O3
Molecular Weight374.48 g/mol
Exact Mass374.19
IUPAC Name(8S)-2,2-dimethyl-10-(3-methylbut-2-enyl)-8-phenyl-7,8-dihydropyrano[3,2-g]chromen-6-one
SMILESCC(C)=CCc1c2c(cc3c1O[C@H](c1ccccc1)CC3=O)C=CC(C)(C)O2
InChIInChI=1S/C25H26O3/c1-16(2)10-11-19-23-18(12-13-25(3,4)28-23)14-20-21(26)15-22(27-24(19)20)17-8-6-5-7-9-17/h5-10,12-14,22H,11,15H2,1-4H3/t22-/m0/s1
InChIKeyVBTDTADYYPMGAF-QFIPXVFZSA-N
XLogP6.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-[3-(2,4-dihydroxyphenyl)-2,5,6-trihydroxyphenyl]-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one
CID 85148864
5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-2-phenyl-2,3-dihydropyrano[2,3-h]chromen-4-one
CID 42607884
(2S)-7-hydroxy-6,8-bis(3-methylbut-2-enyl)-2-phenyl-2,3-dihydrochromen-4-one
CID 162844838
(7R,8R)-7-hydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one
CID 162821291
5-hydroxy-8-(8-hydroxy-2,2-dimethylchromen-6-yl)-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one
CID 14187657
(2R)-5,7-dihydroxy-2-(8-hydroxy-2,2-dimethylchromen-6-yl)-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
CID 163060313
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
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
(2S)-2-(2,2-dimethylchromen-6-yl)-5,7-dihydroxy-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
CID 162919555
(2R)-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8,8-dimethyl-2,3-dihydropyrano[2,3-f]chromen-4-one
CID 100967920
(8R)-8-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5-hydroxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one
CID 163087245
[3-acetyloxy-5-[(8S)-5-acetyloxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-6-oxo-7,8-dihydropyrano[3,2-g]chromen-8-yl]phenyl] acetate
CID 10076189

Frequently Asked Questions

What is the IUPAC name of (8S)-2,2-dimethyl-10-(3-methylbut-2-enyl)-8-phenyl-7,8-dihydropyrano[3,2-g]chromen-6-one?
The IUPAC name of (8S)-2,2-dimethyl-10-(3-methylbut-2-enyl)-8-phenyl-7,8-dihydropyrano[3,2-g]chromen-6-one (CID 162875405) is (8S)-2,2-dimethyl-10-(3-methylbut-2-enyl)-8-phenyl-7,8-dihydropyrano[3,2-g]chromen-6-one.
What is the SMILES notation for (8S)-2,2-dimethyl-10-(3-methylbut-2-enyl)-8-phenyl-7,8-dihydropyrano[3,2-g]chromen-6-one?
The canonical SMILES for (8S)-2,2-dimethyl-10-(3-methylbut-2-enyl)-8-phenyl-7,8-dihydropyrano[3,2-g]chromen-6-one is CC(C)=CCc1c2c(cc3c1O[C@H](c1ccccc1)CC3=O)C=CC(C)(C)O2.
What is the InChIKey of (8S)-2,2-dimethyl-10-(3-methylbut-2-enyl)-8-phenyl-7,8-dihydropyrano[3,2-g]chromen-6-one?
The InChIKey is VBTDTADYYPMGAF-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H26O3/c1-16(2)10-11-19-23-18(12-13-25(3,4)28-23)14-20-21(26)15-22(27-24(19)20)17-8-6-5-7-9-17/h5-10,12-14,22H,11,15H2,1-4H3/t22-/m0/s1.
What are the key properties of (8S)-2,2-dimethyl-10-(3-methylbut-2-enyl)-8-phenyl-7,8-dihydropyrano[3,2-g]chromen-6-one?
(8S)-2,2-dimethyl-10-(3-methylbut-2-enyl)-8-phenyl-7,8-dihydropyrano[3,2-g]chromen-6-one has a molecular weight of 374.48 g/mol, XLogP of 6.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-2,2-dimethyl-10-(3-methylbut-2-enyl)-8-phenyl-7,8-dihydropyrano[3,2-g]chromen-6-one is sourced from PubChem (CID 162875405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).