4-(8,8-dimethyl-9,10-dihydro-2H-pyrano[2,3-h]chromen-3-yl)-5-methylbenzene-1,3-diol

C21H22O4 — CID 139568692

IUPAC4-(8,8-dimethyl-9,10-dihydro-2H-pyrano[2,3-h]chromen-3-yl)-5-methylbenzene-1,3-diol
SMILESCc1cc(O)cc(O)c1C1=Cc2ccc3c(c2OC1)CCC(C)(C)O3
InChIInChI=1S/C21H22O4/c1-12-8-15(22)10-17(23)19(12)14-9-13-4-5-18-16(20(13)24-11-14)6-7-21(2,3)25-18/h4-5,8-10,22-23H,6-7,11H2,1-3H3
InChIKeyAWPYAUVLIQZTBK-UHFFFAOYSA-N
MW338.40 g/mol
LogP4.44
Rot. Bonds1

About 4-(8,8-dimethyl-9,10-dihydro-2H-pyrano[2,3-h]chromen-3-yl)-5-methylbenzene-1,3-diol

4-(8,8-dimethyl-9,10-dihydro-2H-pyrano[2,3-h]chromen-3-yl)-5-methylbenzene-1,3-diol (PubChem CID 139568692) has the molecular formula C21H22O4 and a molecular weight of 338.40 g/mol. Its IUPAC name is 4-(8,8-dimethyl-9,10-dihydro-2H-pyrano[2,3-h]chromen-3-yl)-5-methylbenzene-1,3-diol.

Molecular Properties

Compound Name4-(8,8-dimethyl-9,10-dihydro-2H-pyrano[2,3-h]chromen-3-yl)-5-methylbenzene-1,3-diol
PubChem CID139568692
Molecular FormulaC21H22O4
Molecular Weight338.40 g/mol
Exact Mass338.15
IUPAC Name4-(8,8-dimethyl-9,10-dihydro-2H-pyrano[2,3-h]chromen-3-yl)-5-methylbenzene-1,3-diol
SMILESCc1cc(O)cc(O)c1C1=Cc2ccc3c(c2OC1)CCC(C)(C)O3
InChIInChI=1S/C21H22O4/c1-12-8-15(22)10-17(23)19(12)14-9-13-4-5-18-16(20(13)24-11-14)6-7-21(2,3)25-18/h4-5,8-10,22-23H,6-7,11H2,1-3H3
InChIKeyAWPYAUVLIQZTBK-UHFFFAOYSA-N
XLogP4.44
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 54.44
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-9,10-dihydro-2H-pyrano[2,3-h]chromen-3-yl)-5-methylbenzene-1,3-diol?
The IUPAC name of 4-(8,8-dimethyl-9,10-dihydro-2H-pyrano[2,3-h]chromen-3-yl)-5-methylbenzene-1,3-diol (CID 139568692) is 4-(8,8-dimethyl-9,10-dihydro-2H-pyrano[2,3-h]chromen-3-yl)-5-methylbenzene-1,3-diol.
What is the SMILES notation for 4-(8,8-dimethyl-9,10-dihydro-2H-pyrano[2,3-h]chromen-3-yl)-5-methylbenzene-1,3-diol?
The canonical SMILES for 4-(8,8-dimethyl-9,10-dihydro-2H-pyrano[2,3-h]chromen-3-yl)-5-methylbenzene-1,3-diol is Cc1cc(O)cc(O)c1C1=Cc2ccc3c(c2OC1)CCC(C)(C)O3.
What is the InChIKey of 4-(8,8-dimethyl-9,10-dihydro-2H-pyrano[2,3-h]chromen-3-yl)-5-methylbenzene-1,3-diol?
The InChIKey is AWPYAUVLIQZTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O4/c1-12-8-15(22)10-17(23)19(12)14-9-13-4-5-18-16(20(13)24-11-14)6-7-21(2,3)25-18/h4-5,8-10,22-23H,6-7,11H2,1-3H3.
What are the key properties of 4-(8,8-dimethyl-9,10-dihydro-2H-pyrano[2,3-h]chromen-3-yl)-5-methylbenzene-1,3-diol?
4-(8,8-dimethyl-9,10-dihydro-2H-pyrano[2,3-h]chromen-3-yl)-5-methylbenzene-1,3-diol has a molecular weight of 338.40 g/mol, XLogP of 4.44, 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-9,10-dihydro-2H-pyrano[2,3-h]chromen-3-yl)-5-methylbenzene-1,3-diol is sourced from PubChem (CID 139568692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).