4-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-2-methylbenzene-1,3-diol

C21H20O4 — CID 139568700

IUPAC4-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-2-methylbenzene-1,3-diol
SMILESCc1c(O)ccc(C2=Cc3ccc4c(c3OC2)C=CC(C)(C)O4)c1O
InChIInChI=1S/C21H20O4/c1-12-17(22)6-5-15(19(12)23)14-10-13-4-7-18-16(20(13)24-11-14)8-9-21(2,3)25-18/h4-10,22-23H,11H2,1-3H3
InChIKeyJVSLWFRNYFYVRV-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.52
Rot. Bonds1

About 4-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-2-methylbenzene-1,3-diol

4-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-2-methylbenzene-1,3-diol (PubChem CID 139568700) has the molecular formula C21H20O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is 4-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-2-methylbenzene-1,3-diol.

Molecular Properties

Compound Name4-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-2-methylbenzene-1,3-diol
PubChem CID139568700
Molecular FormulaC21H20O4
Molecular Weight336.39 g/mol
Exact Mass336.14
IUPAC Name4-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-2-methylbenzene-1,3-diol
SMILESCc1c(O)ccc(C2=Cc3ccc4c(c3OC2)C=CC(C)(C)O4)c1O
InChIInChI=1S/C21H20O4/c1-12-17(22)6-5-15(19(12)23)14-10-13-4-7-18-16(20(13)24-11-14)8-9-21(2,3)25-18/h4-10,22-23H,11H2,1-3H3
InChIKeyJVSLWFRNYFYVRV-UHFFFAOYSA-N
XLogP4.52
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-2-methylbenzene-1,3-diol?
The IUPAC name of 4-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-2-methylbenzene-1,3-diol (CID 139568700) is 4-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-2-methylbenzene-1,3-diol.
What is the SMILES notation for 4-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-2-methylbenzene-1,3-diol?
The canonical SMILES for 4-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-2-methylbenzene-1,3-diol is Cc1c(O)ccc(C2=Cc3ccc4c(c3OC2)C=CC(C)(C)O4)c1O.
What is the InChIKey of 4-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-2-methylbenzene-1,3-diol?
The InChIKey is JVSLWFRNYFYVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O4/c1-12-17(22)6-5-15(19(12)23)14-10-13-4-7-18-16(20(13)24-11-14)8-9-21(2,3)25-18/h4-10,22-23H,11H2,1-3H3.
What are the key properties of 4-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-2-methylbenzene-1,3-diol?
4-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-2-methylbenzene-1,3-diol has a molecular weight of 336.39 g/mol, XLogP of 4.52, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-2-methylbenzene-1,3-diol is sourced from PubChem (CID 139568700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).