7,11b-dihydro-6H-indeno[2,1-c]chromene-3,4,6a,9,10-pentol

C16H14O6 — CID 10603

IUPAC7,11b-dihydro-6H-indeno[2,1-c]chromene-3,4,6a,9,10-pentol
SMILESOc1cc2c(cc1O)C1c3ccc(O)c(O)c3OCC1(O)C2
InChIInChI=1S/C16H14O6/c17-10-2-1-8-13-9-4-12(19)11(18)3-7(9)5-16(13,21)6-22-15(8)14(10)20/h1-4,13,17-21H,5-6H2
InChIKeyWZUVPPKBWHMQCE-UHFFFAOYSA-N
MW302.28 g/mol
LogP1.32
Rot. Bonds

About 7,11b-dihydro-6H-indeno[2,1-c]chromene-3,4,6a,9,10-pentol

7,11b-dihydro-6H-indeno[2,1-c]chromene-3,4,6a,9,10-pentol (PubChem CID 10603) has the molecular formula C16H14O6 and a molecular weight of 302.28 g/mol. Its IUPAC name is 7,11b-dihydro-6H-indeno[2,1-c]chromene-3,4,6a,9,10-pentol.

Molecular Properties

Compound Name7,11b-dihydro-6H-indeno[2,1-c]chromene-3,4,6a,9,10-pentol
PubChem CID10603
Molecular FormulaC16H14O6
Molecular Weight302.28 g/mol
Exact Mass302.08
IUPAC Name7,11b-dihydro-6H-indeno[2,1-c]chromene-3,4,6a,9,10-pentol
SMILESOc1cc2c(cc1O)C1c3ccc(O)c(O)c3OCC1(O)C2
InChIInChI=1S/C16H14O6/c17-10-2-1-8-13-9-4-12(19)11(18)3-7(9)5-16(13,21)6-22-15(8)14(10)20/h1-4,13,17-21H,5-6H2
InChIKeyWZUVPPKBWHMQCE-UHFFFAOYSA-N
XLogP1.32
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 51.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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 7,11b-dihydro-6H-indeno[2,1-c]chromene-3,4,6a,9,10-pentol?
The IUPAC name of 7,11b-dihydro-6H-indeno[2,1-c]chromene-3,4,6a,9,10-pentol (CID 10603) is 7,11b-dihydro-6H-indeno[2,1-c]chromene-3,4,6a,9,10-pentol.
What is the SMILES notation for 7,11b-dihydro-6H-indeno[2,1-c]chromene-3,4,6a,9,10-pentol?
The canonical SMILES for 7,11b-dihydro-6H-indeno[2,1-c]chromene-3,4,6a,9,10-pentol is Oc1cc2c(cc1O)C1c3ccc(O)c(O)c3OCC1(O)C2.
What is the InChIKey of 7,11b-dihydro-6H-indeno[2,1-c]chromene-3,4,6a,9,10-pentol?
The InChIKey is WZUVPPKBWHMQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O6/c17-10-2-1-8-13-9-4-12(19)11(18)3-7(9)5-16(13,21)6-22-15(8)14(10)20/h1-4,13,17-21H,5-6H2.
What are the key properties of 7,11b-dihydro-6H-indeno[2,1-c]chromene-3,4,6a,9,10-pentol?
7,11b-dihydro-6H-indeno[2,1-c]chromene-3,4,6a,9,10-pentol has a molecular weight of 302.28 g/mol, XLogP of 1.32, 0 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,11b-dihydro-6H-indeno[2,1-c]chromene-3,4,6a,9,10-pentol is sourced from PubChem (CID 10603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).