8,8-dimethyl-3-(2-prop-2-enoxy-4-propoxyphenyl)-2,4-dihydropyrano[2,3-f]chromene-3,4-diol

C26H30O6 — CID 155795147

IUPAC8,8-dimethyl-3-(2-prop-2-enoxy-4-propoxyphenyl)-2,4-dihydropyrano[2,3-f]chromene-3,4-diol
SMILESC=CCOc1cc(OCCC)ccc1C1(O)COc2c(ccc3c2C=CC(C)(C)O3)C1O
InChIInChI=1S/C26H30O6/c1-5-13-29-17-7-9-20(22(15-17)30-14-6-2)26(28)16-31-23-18-11-12-25(3,4)32-21(18)10-8-19(23)24(26)27/h6-12,15,24,27-28H,2,5,13-14,16H2,1,3-4H3
InChIKeyOQSVQFXDNRLRBS-UHFFFAOYSA-N
MW438.52 g/mol
LogP4.54
Rot. Bonds7

About 8,8-dimethyl-3-(2-prop-2-enoxy-4-propoxyphenyl)-2,4-dihydropyrano[2,3-f]chromene-3,4-diol

8,8-dimethyl-3-(2-prop-2-enoxy-4-propoxyphenyl)-2,4-dihydropyrano[2,3-f]chromene-3,4-diol (PubChem CID 155795147) has the molecular formula C26H30O6 and a molecular weight of 438.52 g/mol. Its IUPAC name is 8,8-dimethyl-3-(2-prop-2-enoxy-4-propoxyphenyl)-2,4-dihydropyrano[2,3-f]chromene-3,4-diol.

Molecular Properties

Compound Name8,8-dimethyl-3-(2-prop-2-enoxy-4-propoxyphenyl)-2,4-dihydropyrano[2,3-f]chromene-3,4-diol
PubChem CID155795147
Molecular FormulaC26H30O6
Molecular Weight438.52 g/mol
Exact Mass438.20
IUPAC Name8,8-dimethyl-3-(2-prop-2-enoxy-4-propoxyphenyl)-2,4-dihydropyrano[2,3-f]chromene-3,4-diol
SMILESC=CCOc1cc(OCCC)ccc1C1(O)COc2c(ccc3c2C=CC(C)(C)O3)C1O
InChIInChI=1S/C26H30O6/c1-5-13-29-17-7-9-20(22(15-17)30-14-6-2)26(28)16-31-23-18-11-12-25(3,4)32-21(18)10-8-19(23)24(26)27/h6-12,15,24,27-28H,2,5,13-14,16H2,1,3-4H3
InChIKeyOQSVQFXDNRLRBS-UHFFFAOYSA-N
XLogP4.54
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-3-(2-prop-2-enoxy-4-propoxyphenyl)-2,4-dihydropyrano[2,3-f]chromene-3,4-diol?
The IUPAC name of 8,8-dimethyl-3-(2-prop-2-enoxy-4-propoxyphenyl)-2,4-dihydropyrano[2,3-f]chromene-3,4-diol (CID 155795147) is 8,8-dimethyl-3-(2-prop-2-enoxy-4-propoxyphenyl)-2,4-dihydropyrano[2,3-f]chromene-3,4-diol.
What is the SMILES notation for 8,8-dimethyl-3-(2-prop-2-enoxy-4-propoxyphenyl)-2,4-dihydropyrano[2,3-f]chromene-3,4-diol?
The canonical SMILES for 8,8-dimethyl-3-(2-prop-2-enoxy-4-propoxyphenyl)-2,4-dihydropyrano[2,3-f]chromene-3,4-diol is C=CCOc1cc(OCCC)ccc1C1(O)COc2c(ccc3c2C=CC(C)(C)O3)C1O.
What is the InChIKey of 8,8-dimethyl-3-(2-prop-2-enoxy-4-propoxyphenyl)-2,4-dihydropyrano[2,3-f]chromene-3,4-diol?
The InChIKey is OQSVQFXDNRLRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O6/c1-5-13-29-17-7-9-20(22(15-17)30-14-6-2)26(28)16-31-23-18-11-12-25(3,4)32-21(18)10-8-19(23)24(26)27/h6-12,15,24,27-28H,2,5,13-14,16H2,1,3-4H3.
What are the key properties of 8,8-dimethyl-3-(2-prop-2-enoxy-4-propoxyphenyl)-2,4-dihydropyrano[2,3-f]chromene-3,4-diol?
8,8-dimethyl-3-(2-prop-2-enoxy-4-propoxyphenyl)-2,4-dihydropyrano[2,3-f]chromene-3,4-diol has a molecular weight of 438.52 g/mol, XLogP of 4.54, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-3-(2-prop-2-enoxy-4-propoxyphenyl)-2,4-dihydropyrano[2,3-f]chromene-3,4-diol is sourced from PubChem (CID 155795147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).