6a-methyl-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,9,10-triol

C17H16O4 — CID 76780239

IUPAC6a-methyl-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,9,10-triol
SMILESCC12COc3cc(O)ccc3C1c1cc(O)c(O)cc1C2
InChIInChI=1S/C17H16O4/c1-17-7-9-4-13(19)14(20)6-12(9)16(17)11-3-2-10(18)5-15(11)21-8-17/h2-6,16,18-20H,7-8H2,1H3
InChIKeyDITGLACHHCYUPH-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.89
Rot. Bonds

About 6a-methyl-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,9,10-triol

6a-methyl-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,9,10-triol (PubChem CID 76780239) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is 6a-methyl-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,9,10-triol.

Molecular Properties

Compound Name6a-methyl-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,9,10-triol
PubChem CID76780239
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Name6a-methyl-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,9,10-triol
SMILESCC12COc3cc(O)ccc3C1c1cc(O)c(O)cc1C2
InChIInChI=1S/C17H16O4/c1-17-7-9-4-13(19)14(20)6-12(9)16(17)11-3-2-10(18)5-15(11)21-8-17/h2-6,16,18-20H,7-8H2,1H3
InChIKeyDITGLACHHCYUPH-UHFFFAOYSA-N
XLogP2.89
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6a-methyl-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,9,10-triol?
The IUPAC name of 6a-methyl-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,9,10-triol (CID 76780239) is 6a-methyl-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,9,10-triol.
What is the SMILES notation for 6a-methyl-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,9,10-triol?
The canonical SMILES for 6a-methyl-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,9,10-triol is CC12COc3cc(O)ccc3C1c1cc(O)c(O)cc1C2.
What is the InChIKey of 6a-methyl-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,9,10-triol?
The InChIKey is DITGLACHHCYUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O4/c1-17-7-9-4-13(19)14(20)6-12(9)16(17)11-3-2-10(18)5-15(11)21-8-17/h2-6,16,18-20H,7-8H2,1H3.
What are the key properties of 6a-methyl-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,9,10-triol?
6a-methyl-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,9,10-triol has a molecular weight of 284.31 g/mol, XLogP of 2.89, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6a-methyl-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,9,10-triol is sourced from PubChem (CID 76780239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).