(4R)-4-(4-hydroxy-3-methoxyphenyl)-7-methyl-3,4-dihydropyrano[3,2-c]pyran-2,5-dione

C16H14O6 — CID 99998666

IUPAC(4R)-4-(4-hydroxy-3-methoxyphenyl)-7-methyl-3,4-dihydropyrano[3,2-c]pyran-2,5-dione
SMILESCOc1cc([C@H]2CC(=O)Oc3cc(C)oc(=O)c32)ccc1O
InChIInChI=1S/C16H14O6/c1-8-5-13-15(16(19)21-8)10(7-14(18)22-13)9-3-4-11(17)12(6-9)20-2/h3-6,10,17H,7H2,1-2H3/t10-/m1/s1
InChIKeyBZCDSKFGNMNRJY-SNVBAGLBSA-N
MW302.28 g/mol
LogP2.10
Rot. Bonds2

About (4R)-4-(4-hydroxy-3-methoxyphenyl)-7-methyl-3,4-dihydropyrano[3,2-c]pyran-2,5-dione

(4R)-4-(4-hydroxy-3-methoxyphenyl)-7-methyl-3,4-dihydropyrano[3,2-c]pyran-2,5-dione (PubChem CID 99998666) has the molecular formula C16H14O6 and a molecular weight of 302.28 g/mol. Its IUPAC name is (4R)-4-(4-hydroxy-3-methoxyphenyl)-7-methyl-3,4-dihydropyrano[3,2-c]pyran-2,5-dione.

Molecular Properties

Compound Name(4R)-4-(4-hydroxy-3-methoxyphenyl)-7-methyl-3,4-dihydropyrano[3,2-c]pyran-2,5-dione
PubChem CID99998666
Molecular FormulaC16H14O6
Molecular Weight302.28 g/mol
Exact Mass302.08
IUPAC Name(4R)-4-(4-hydroxy-3-methoxyphenyl)-7-methyl-3,4-dihydropyrano[3,2-c]pyran-2,5-dione
SMILESCOc1cc([C@H]2CC(=O)Oc3cc(C)oc(=O)c32)ccc1O
InChIInChI=1S/C16H14O6/c1-8-5-13-15(16(19)21-8)10(7-14(18)22-13)9-3-4-11(17)12(6-9)20-2/h3-6,10,17H,7H2,1-2H3/t10-/m1/s1
InChIKeyBZCDSKFGNMNRJY-SNVBAGLBSA-N
XLogP2.10
TPSA85.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4R)-4-(4-hydroxy-3-methoxyphenyl)-7-methyl-3,4-dihydropyrano[3,2-c]pyran-2,5-dione with MolForge

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Related Compounds

4-(4-hydroxy-3-methoxyphenyl)-7-methyl-3,4-dihydropyrano[3,2-c]pyran-2,5-dione
CID 102564540
(4S)-5-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-7-methyl-3,4-dihydrochromen-2-one
CID 121484594
(4R)-4-(4-hydroxy-3-methoxyphenyl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
CID 125428741
(4R)-7-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-3,4-dihydrochromen-2-one
CID 166157644
4-(4-hydroxy-3-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 101088863
(4S)-2-amino-4-(4-hydroxy-3-methoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile
CID 909759
4-(4-hydroxy-3-methoxyphenyl)-3,4-dihydrochromen-2-one;methane
CID 145124096
2-amino-4-(4-hydroxy-3-methoxyphenyl)-7-methyl-3-nitro-4H-pyrano[3,2-c]pyran-5-one
CID 3653453
(4S)-5-hydroxy-7-methoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 71533318
(4R)-7-ethoxy-4-(4-hydroxy-3-methoxyphenyl)-3,4-dihydrochromen-2-one;(4S)-7-ethoxy-4-(4-hydroxy-3-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 158798146
7-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-5-[2-(4-hydroxyphenyl)ethenyl]-3,4-dihydrochromen-2-one
CID 75954573
(10S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-10-(4-hydroxy-3-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97424630

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-hydroxy-3-methoxyphenyl)-7-methyl-3,4-dihydropyrano[3,2-c]pyran-2,5-dione?
The IUPAC name of (4R)-4-(4-hydroxy-3-methoxyphenyl)-7-methyl-3,4-dihydropyrano[3,2-c]pyran-2,5-dione (CID 99998666) is (4R)-4-(4-hydroxy-3-methoxyphenyl)-7-methyl-3,4-dihydropyrano[3,2-c]pyran-2,5-dione.
What is the SMILES notation for (4R)-4-(4-hydroxy-3-methoxyphenyl)-7-methyl-3,4-dihydropyrano[3,2-c]pyran-2,5-dione?
The canonical SMILES for (4R)-4-(4-hydroxy-3-methoxyphenyl)-7-methyl-3,4-dihydropyrano[3,2-c]pyran-2,5-dione is COc1cc([C@H]2CC(=O)Oc3cc(C)oc(=O)c32)ccc1O.
What is the InChIKey of (4R)-4-(4-hydroxy-3-methoxyphenyl)-7-methyl-3,4-dihydropyrano[3,2-c]pyran-2,5-dione?
The InChIKey is BZCDSKFGNMNRJY-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H14O6/c1-8-5-13-15(16(19)21-8)10(7-14(18)22-13)9-3-4-11(17)12(6-9)20-2/h3-6,10,17H,7H2,1-2H3/t10-/m1/s1.
What are the key properties of (4R)-4-(4-hydroxy-3-methoxyphenyl)-7-methyl-3,4-dihydropyrano[3,2-c]pyran-2,5-dione?
(4R)-4-(4-hydroxy-3-methoxyphenyl)-7-methyl-3,4-dihydropyrano[3,2-c]pyran-2,5-dione has a molecular weight of 302.28 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-hydroxy-3-methoxyphenyl)-7-methyl-3,4-dihydropyrano[3,2-c]pyran-2,5-dione is sourced from PubChem (CID 99998666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).