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

C19H16O4 — CID 5319890

IUPAC5-(8-methyl-7,10-dihydrofuro[2,3-g][1]benzoxepin-2-yl)benzene-1,3-diol
SMILESCC1=CCc2c(ccc3cc(-c4cc(O)cc(O)c4)oc23)OC1
InChIInChI=1S/C19H16O4/c1-11-2-4-16-17(22-10-11)5-3-12-8-18(23-19(12)16)13-6-14(20)9-15(21)7-13/h2-3,5-9,20-21H,4,10H2,1H3
InChIKeyPRQYZCKJWCQXNM-UHFFFAOYSA-N
MW308.33 g/mol
LogP4.39
Rot. Bonds1

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

5-(8-methyl-7,10-dihydrofuro[2,3-g][1]benzoxepin-2-yl)benzene-1,3-diol (PubChem CID 5319890) has the molecular formula C19H16O4 and a molecular weight of 308.33 g/mol. Its IUPAC name is 5-(8-methyl-7,10-dihydrofuro[2,3-g][1]benzoxepin-2-yl)benzene-1,3-diol.

Molecular Properties

Compound Name5-(8-methyl-7,10-dihydrofuro[2,3-g][1]benzoxepin-2-yl)benzene-1,3-diol
PubChem CID5319890
Molecular FormulaC19H16O4
Molecular Weight308.33 g/mol
Exact Mass308.10
IUPAC Name5-(8-methyl-7,10-dihydrofuro[2,3-g][1]benzoxepin-2-yl)benzene-1,3-diol
SMILESCC1=CCc2c(ccc3cc(-c4cc(O)cc(O)c4)oc23)OC1
InChIInChI=1S/C19H16O4/c1-11-2-4-16-17(22-10-11)5-3-12-8-18(23-19(12)16)13-6-14(20)9-15(21)7-13/h2-3,5-9,20-21H,4,10H2,1H3
InChIKeyPRQYZCKJWCQXNM-UHFFFAOYSA-N
XLogP4.39
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Trimethylpsoralen
CID 5585
Bergapten
CID 2355
Isopsoralen
CID 10658
Octabenzone
CID 15797
Isoimperatorin
CID 68081
Coumestrol
CID 5281707
Benzarone
CID 255968
Sophoraflavanone B
CID 480764
Isobergapten
CID 68082
Bergamottin
CID 5471349
Xanthohumol
CID 639665
Bergaptol
CID 5280371

Frequently Asked Questions

What is the IUPAC name of 5-(8-methyl-7,10-dihydrofuro[2,3-g][1]benzoxepin-2-yl)benzene-1,3-diol?
The IUPAC name of 5-(8-methyl-7,10-dihydrofuro[2,3-g][1]benzoxepin-2-yl)benzene-1,3-diol (CID 5319890) is 5-(8-methyl-7,10-dihydrofuro[2,3-g][1]benzoxepin-2-yl)benzene-1,3-diol.
What is the SMILES notation for 5-(8-methyl-7,10-dihydrofuro[2,3-g][1]benzoxepin-2-yl)benzene-1,3-diol?
The canonical SMILES for 5-(8-methyl-7,10-dihydrofuro[2,3-g][1]benzoxepin-2-yl)benzene-1,3-diol is CC1=CCc2c(ccc3cc(-c4cc(O)cc(O)c4)oc23)OC1.
What is the InChIKey of 5-(8-methyl-7,10-dihydrofuro[2,3-g][1]benzoxepin-2-yl)benzene-1,3-diol?
The InChIKey is PRQYZCKJWCQXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O4/c1-11-2-4-16-17(22-10-11)5-3-12-8-18(23-19(12)16)13-6-14(20)9-15(21)7-13/h2-3,5-9,20-21H,4,10H2,1H3.
What are the key properties of 5-(8-methyl-7,10-dihydrofuro[2,3-g][1]benzoxepin-2-yl)benzene-1,3-diol?
5-(8-methyl-7,10-dihydrofuro[2,3-g][1]benzoxepin-2-yl)benzene-1,3-diol has a molecular weight of 308.33 g/mol, XLogP of 4.39, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-methyl-7,10-dihydrofuro[2,3-g][1]benzoxepin-2-yl)benzene-1,3-diol is sourced from PubChem (CID 5319890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).