(6aS,11bR)-7,11b-dihydro-6H-indeno[2,1-c]chromene-6a,9-diol

C16H14O3 — CID 57403753

IUPAC(6aS,11bR)-7,11b-dihydro-6H-indeno[2,1-c]chromene-6a,9-diol
SMILESOc1ccc2c(c1)C[C@@]1(O)COc3ccccc3[C@@H]21
InChIInChI=1S/C16H14O3/c17-11-5-6-12-10(7-11)8-16(18)9-19-14-4-2-1-3-13(14)15(12)16/h1-7,15,17-18H,8-9H2/t15-,16-/m1/s1
InChIKeyAKFMPDDDVQAANB-HZPDHXFCSA-N
MW254.29 g/mol
LogP2.20
Rot. Bonds

About (6aS,11bR)-7,11b-dihydro-6H-indeno[2,1-c]chromene-6a,9-diol

(6aS,11bR)-7,11b-dihydro-6H-indeno[2,1-c]chromene-6a,9-diol (PubChem CID 57403753) has the molecular formula C16H14O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is (6aS,11bR)-7,11b-dihydro-6H-indeno[2,1-c]chromene-6a,9-diol.

Molecular Properties

Compound Name(6aS,11bR)-7,11b-dihydro-6H-indeno[2,1-c]chromene-6a,9-diol
PubChem CID57403753
Molecular FormulaC16H14O3
Molecular Weight254.29 g/mol
Exact Mass254.09
IUPAC Name(6aS,11bR)-7,11b-dihydro-6H-indeno[2,1-c]chromene-6a,9-diol
SMILESOc1ccc2c(c1)C[C@@]1(O)COc3ccccc3[C@@H]21
InChIInChI=1S/C16H14O3/c17-11-5-6-12-10(7-11)8-16(18)9-19-14-4-2-1-3-13(14)15(12)16/h1-7,15,17-18H,8-9H2/t15-,16-/m1/s1
InChIKeyAKFMPDDDVQAANB-HZPDHXFCSA-N
XLogP2.20
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6aS,11bR)-7,11b-dihydro-6H-indeno[2,1-c]chromene-6a,9-diol?
The IUPAC name of (6aS,11bR)-7,11b-dihydro-6H-indeno[2,1-c]chromene-6a,9-diol (CID 57403753) is (6aS,11bR)-7,11b-dihydro-6H-indeno[2,1-c]chromene-6a,9-diol.
What is the SMILES notation for (6aS,11bR)-7,11b-dihydro-6H-indeno[2,1-c]chromene-6a,9-diol?
The canonical SMILES for (6aS,11bR)-7,11b-dihydro-6H-indeno[2,1-c]chromene-6a,9-diol is Oc1ccc2c(c1)C[C@@]1(O)COc3ccccc3[C@@H]21.
What is the InChIKey of (6aS,11bR)-7,11b-dihydro-6H-indeno[2,1-c]chromene-6a,9-diol?
The InChIKey is AKFMPDDDVQAANB-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H14O3/c17-11-5-6-12-10(7-11)8-16(18)9-19-14-4-2-1-3-13(14)15(12)16/h1-7,15,17-18H,8-9H2/t15-,16-/m1/s1.
What are the key properties of (6aS,11bR)-7,11b-dihydro-6H-indeno[2,1-c]chromene-6a,9-diol?
(6aS,11bR)-7,11b-dihydro-6H-indeno[2,1-c]chromene-6a,9-diol has a molecular weight of 254.29 g/mol, XLogP of 2.20, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6aS,11bR)-7,11b-dihydro-6H-indeno[2,1-c]chromene-6a,9-diol is sourced from PubChem (CID 57403753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).