4-(5-methoxy-8,8-dimethyl-2H-pyrano[2,3-h]chromen-3-yl)benzene-1,3-diol

C21H20O5 — CID 139568713

IUPAC4-(5-methoxy-8,8-dimethyl-2H-pyrano[2,3-h]chromen-3-yl)benzene-1,3-diol
SMILESCOc1cc2c(c3c1C=C(c1ccc(O)cc1O)CO3)C=CC(C)(C)O2
InChIInChI=1S/C21H20O5/c1-21(2)7-6-15-19(26-21)10-18(24-3)16-8-12(11-25-20(15)16)14-5-4-13(22)9-17(14)23/h4-10,22-23H,11H2,1-3H3
InChIKeyZNUHYVXKEZPDTB-UHFFFAOYSA-N
MW352.39 g/mol
LogP4.22
Rot. Bonds2

About 4-(5-methoxy-8,8-dimethyl-2H-pyrano[2,3-h]chromen-3-yl)benzene-1,3-diol

4-(5-methoxy-8,8-dimethyl-2H-pyrano[2,3-h]chromen-3-yl)benzene-1,3-diol (PubChem CID 139568713) has the molecular formula C21H20O5 and a molecular weight of 352.39 g/mol. Its IUPAC name is 4-(5-methoxy-8,8-dimethyl-2H-pyrano[2,3-h]chromen-3-yl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(5-methoxy-8,8-dimethyl-2H-pyrano[2,3-h]chromen-3-yl)benzene-1,3-diol
PubChem CID139568713
Molecular FormulaC21H20O5
Molecular Weight352.39 g/mol
Exact Mass352.13
IUPAC Name4-(5-methoxy-8,8-dimethyl-2H-pyrano[2,3-h]chromen-3-yl)benzene-1,3-diol
SMILESCOc1cc2c(c3c1C=C(c1ccc(O)cc1O)CO3)C=CC(C)(C)O2
InChIInChI=1S/C21H20O5/c1-21(2)7-6-15-19(26-21)10-18(24-3)16-8-12(11-25-20(15)16)14-5-4-13(22)9-17(14)23/h4-10,22-23H,11H2,1-3H3
InChIKeyZNUHYVXKEZPDTB-UHFFFAOYSA-N
XLogP4.22
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-3-phenylmethoxyphenol
CID 134419112
4-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-6-phenoxybenzene-1,3-diol
CID 139568695
4-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-2-methylbenzene-1,3-diol
CID 139568700
4-(5,8,8-trimethyl-9,10-dihydro-2H-pyrano[2,3-h]chromen-3-yl)benzene-1,3-diol
CID 139568698
4-(8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl)benzene-1,3-diol;ethane
CID 155725213
[3-(5-methoxy-2,2-dimethylchromen-6-yl)-2H-chromen-7-yl] methanesulfonate
CID 142227179
6,7-dimethoxy-8',8'-dimethylspiro[2H-chromene-3,2'-pyrano[2,3-h][1,3]benzodioxine]-4,4'-dione
CID 162820552
8,8-dimethyl-3-(4-pentyl-2-phenylmethoxyphenyl)-2H-pyrano[2,3-f]chromene
CID 139397836
3-(2-benzyl-4-ethoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene
CID 161405834
(3S)-3-(3-methoxy-4-methylphenyl)-8,8-dimethyl-2,3-dihydropyrano[2,3-f]chromen-4-one
CID 118199562
1-(5,7-dimethoxy-2,2-dimethylchromen-6-yl)ethanone
CID 66573258
(2R,3S)-3-hydroxy-5-methoxy-8,8-dimethyl-2-phenyl-2,3-dihydropyrano[2,3-h]chromen-4-one
CID 132988935

Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxy-8,8-dimethyl-2H-pyrano[2,3-h]chromen-3-yl)benzene-1,3-diol?
The IUPAC name of 4-(5-methoxy-8,8-dimethyl-2H-pyrano[2,3-h]chromen-3-yl)benzene-1,3-diol (CID 139568713) is 4-(5-methoxy-8,8-dimethyl-2H-pyrano[2,3-h]chromen-3-yl)benzene-1,3-diol.
What is the SMILES notation for 4-(5-methoxy-8,8-dimethyl-2H-pyrano[2,3-h]chromen-3-yl)benzene-1,3-diol?
The canonical SMILES for 4-(5-methoxy-8,8-dimethyl-2H-pyrano[2,3-h]chromen-3-yl)benzene-1,3-diol is COc1cc2c(c3c1C=C(c1ccc(O)cc1O)CO3)C=CC(C)(C)O2.
What is the InChIKey of 4-(5-methoxy-8,8-dimethyl-2H-pyrano[2,3-h]chromen-3-yl)benzene-1,3-diol?
The InChIKey is ZNUHYVXKEZPDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O5/c1-21(2)7-6-15-19(26-21)10-18(24-3)16-8-12(11-25-20(15)16)14-5-4-13(22)9-17(14)23/h4-10,22-23H,11H2,1-3H3.
What are the key properties of 4-(5-methoxy-8,8-dimethyl-2H-pyrano[2,3-h]chromen-3-yl)benzene-1,3-diol?
4-(5-methoxy-8,8-dimethyl-2H-pyrano[2,3-h]chromen-3-yl)benzene-1,3-diol has a molecular weight of 352.39 g/mol, XLogP of 4.22, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxy-8,8-dimethyl-2H-pyrano[2,3-h]chromen-3-yl)benzene-1,3-diol is sourced from PubChem (CID 139568713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).