7,11b-dihydro-6H-indeno[2,1-c]chromene-4,6a,9-triol

C16H14O4 — CID 126663213

IUPAC7,11b-dihydro-6H-indeno[2,1-c]chromene-4,6a,9-triol
SMILESOc1ccc2c(c1)CC1(O)COc3c(O)cccc3C21
InChIInChI=1S/C16H14O4/c17-10-4-5-11-9(6-10)7-16(19)8-20-15-12(14(11)16)2-1-3-13(15)18/h1-6,14,17-19H,7-8H2
InChIKeyACNRCGUSYKXMFM-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.91
Rot. Bonds

About 7,11b-dihydro-6H-indeno[2,1-c]chromene-4,6a,9-triol

7,11b-dihydro-6H-indeno[2,1-c]chromene-4,6a,9-triol (PubChem CID 126663213) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 7,11b-dihydro-6H-indeno[2,1-c]chromene-4,6a,9-triol.

Molecular Properties

Compound Name7,11b-dihydro-6H-indeno[2,1-c]chromene-4,6a,9-triol
PubChem CID126663213
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name7,11b-dihydro-6H-indeno[2,1-c]chromene-4,6a,9-triol
SMILESOc1ccc2c(c1)CC1(O)COc3c(O)cccc3C21
InChIInChI=1S/C16H14O4/c17-10-4-5-11-9(6-10)7-16(19)8-20-15-12(14(11)16)2-1-3-13(15)18/h1-6,14,17-19H,7-8H2
InChIKeyACNRCGUSYKXMFM-UHFFFAOYSA-N
XLogP1.91
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,11b-dihydro-6H-indeno[2,1-c]chromene-4,6a,9-triol?
The IUPAC name of 7,11b-dihydro-6H-indeno[2,1-c]chromene-4,6a,9-triol (CID 126663213) is 7,11b-dihydro-6H-indeno[2,1-c]chromene-4,6a,9-triol.
What is the SMILES notation for 7,11b-dihydro-6H-indeno[2,1-c]chromene-4,6a,9-triol?
The canonical SMILES for 7,11b-dihydro-6H-indeno[2,1-c]chromene-4,6a,9-triol is Oc1ccc2c(c1)CC1(O)COc3c(O)cccc3C21.
What is the InChIKey of 7,11b-dihydro-6H-indeno[2,1-c]chromene-4,6a,9-triol?
The InChIKey is ACNRCGUSYKXMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c17-10-4-5-11-9(6-10)7-16(19)8-20-15-12(14(11)16)2-1-3-13(15)18/h1-6,14,17-19H,7-8H2.
What are the key properties of 7,11b-dihydro-6H-indeno[2,1-c]chromene-4,6a,9-triol?
7,11b-dihydro-6H-indeno[2,1-c]chromene-4,6a,9-triol has a molecular weight of 270.28 g/mol, XLogP of 1.91, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,11b-dihydro-6H-indeno[2,1-c]chromene-4,6a,9-triol is sourced from PubChem (CID 126663213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).