5-(5-hydroxy-8-methyl-7,10-dihydrofuro[2,3-g][1]benzoxepin-2-yl)benzene-1,3-diol

C19H16O5 — CID 118726654

IUPAC5-(5-hydroxy-8-methyl-7,10-dihydrofuro[2,3-g][1]benzoxepin-2-yl)benzene-1,3-diol
SMILESCC1=CCc2c(c(O)cc3cc(-c4cc(O)cc(O)c4)oc23)OC1
InChIInChI=1S/C19H16O5/c1-10-2-3-15-18-12(6-16(22)19(15)23-9-10)7-17(24-18)11-4-13(20)8-14(21)5-11/h2,4-8,20-22H,3,9H2,1H3
InChIKeyFQHZBTIVEUAARU-UHFFFAOYSA-N
MW324.33 g/mol
LogP4.10
Rot. Bonds1

About 5-(5-hydroxy-8-methyl-7,10-dihydrofuro[2,3-g][1]benzoxepin-2-yl)benzene-1,3-diol

5-(5-hydroxy-8-methyl-7,10-dihydrofuro[2,3-g][1]benzoxepin-2-yl)benzene-1,3-diol (PubChem CID 118726654) has the molecular formula C19H16O5 and a molecular weight of 324.33 g/mol. Its IUPAC name is 5-(5-hydroxy-8-methyl-7,10-dihydrofuro[2,3-g][1]benzoxepin-2-yl)benzene-1,3-diol.

Molecular Properties

Compound Name5-(5-hydroxy-8-methyl-7,10-dihydrofuro[2,3-g][1]benzoxepin-2-yl)benzene-1,3-diol
PubChem CID118726654
Molecular FormulaC19H16O5
Molecular Weight324.33 g/mol
Exact Mass324.10
IUPAC Name5-(5-hydroxy-8-methyl-7,10-dihydrofuro[2,3-g][1]benzoxepin-2-yl)benzene-1,3-diol
SMILESCC1=CCc2c(c(O)cc3cc(-c4cc(O)cc(O)c4)oc23)OC1
InChIInChI=1S/C19H16O5/c1-10-2-3-15-18-12(6-16(22)19(15)23-9-10)7-17(24-18)11-4-13(20)8-14(21)5-11/h2,4-8,20-22H,3,9H2,1H3
InChIKeyFQHZBTIVEUAARU-UHFFFAOYSA-N
XLogP4.10
TPSA83.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 5-(5-hydroxy-8-methyl-7,10-dihydrofuro[2,3-g][1]benzoxepin-2-yl)benzene-1,3-diol?
The IUPAC name of 5-(5-hydroxy-8-methyl-7,10-dihydrofuro[2,3-g][1]benzoxepin-2-yl)benzene-1,3-diol (CID 118726654) is 5-(5-hydroxy-8-methyl-7,10-dihydrofuro[2,3-g][1]benzoxepin-2-yl)benzene-1,3-diol.
What is the SMILES notation for 5-(5-hydroxy-8-methyl-7,10-dihydrofuro[2,3-g][1]benzoxepin-2-yl)benzene-1,3-diol?
The canonical SMILES for 5-(5-hydroxy-8-methyl-7,10-dihydrofuro[2,3-g][1]benzoxepin-2-yl)benzene-1,3-diol is CC1=CCc2c(c(O)cc3cc(-c4cc(O)cc(O)c4)oc23)OC1.
What is the InChIKey of 5-(5-hydroxy-8-methyl-7,10-dihydrofuro[2,3-g][1]benzoxepin-2-yl)benzene-1,3-diol?
The InChIKey is FQHZBTIVEUAARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O5/c1-10-2-3-15-18-12(6-16(22)19(15)23-9-10)7-17(24-18)11-4-13(20)8-14(21)5-11/h2,4-8,20-22H,3,9H2,1H3.
What are the key properties of 5-(5-hydroxy-8-methyl-7,10-dihydrofuro[2,3-g][1]benzoxepin-2-yl)benzene-1,3-diol?
5-(5-hydroxy-8-methyl-7,10-dihydrofuro[2,3-g][1]benzoxepin-2-yl)benzene-1,3-diol has a molecular weight of 324.33 g/mol, XLogP of 4.10, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-hydroxy-8-methyl-7,10-dihydrofuro[2,3-g][1]benzoxepin-2-yl)benzene-1,3-diol is sourced from PubChem (CID 118726654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).