(6S,6aR,12aR)-6-phenyl-6,6a,7,12a-tetrahydrochromeno[3,2-c]chromene

C22H18O2 — CID 7432068

IUPAC(6S,6aR,12aR)-6-phenyl-6,6a,7,12a-tetrahydrochromeno[3,2-c]chromene
SMILESc1ccc([C@H]2Oc3ccccc3[C@@H]3Oc4ccccc4C[C@H]23)cc1
InChIInChI=1S/C22H18O2/c1-2-8-15(9-3-1)21-18-14-16-10-4-6-12-19(16)23-22(18)17-11-5-7-13-20(17)24-21/h1-13,18,21-22H,14H2/t18-,21-,22+/m1/s1
InChIKeySXZDARLYEGHHER-QIJUGHKUSA-N
MW314.38 g/mol
LogP5.11
Rot. Bonds1

About (6S,6aR,12aR)-6-phenyl-6,6a,7,12a-tetrahydrochromeno[3,2-c]chromene

(6S,6aR,12aR)-6-phenyl-6,6a,7,12a-tetrahydrochromeno[3,2-c]chromene (PubChem CID 7432068) has the molecular formula C22H18O2 and a molecular weight of 314.38 g/mol. Its IUPAC name is (6S,6aR,12aR)-6-phenyl-6,6a,7,12a-tetrahydrochromeno[3,2-c]chromene.

Molecular Properties

Compound Name(6S,6aR,12aR)-6-phenyl-6,6a,7,12a-tetrahydrochromeno[3,2-c]chromene
PubChem CID7432068
Molecular FormulaC22H18O2
Molecular Weight314.38 g/mol
Exact Mass314.13
IUPAC Name(6S,6aR,12aR)-6-phenyl-6,6a,7,12a-tetrahydrochromeno[3,2-c]chromene
SMILESc1ccc([C@H]2Oc3ccccc3[C@@H]3Oc4ccccc4C[C@H]23)cc1
InChIInChI=1S/C22H18O2/c1-2-8-15(9-3-1)21-18-14-16-10-4-6-12-19(16)23-22(18)17-11-5-7-13-20(17)24-21/h1-13,18,21-22H,14H2/t18-,21-,22+/m1/s1
InChIKeySXZDARLYEGHHER-QIJUGHKUSA-N
XLogP5.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.38
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6S,6aR,12aR)-6-phenyl-6,6a,7,12a-tetrahydrochromeno[3,2-c]chromene?
The IUPAC name of (6S,6aR,12aR)-6-phenyl-6,6a,7,12a-tetrahydrochromeno[3,2-c]chromene (CID 7432068) is (6S,6aR,12aR)-6-phenyl-6,6a,7,12a-tetrahydrochromeno[3,2-c]chromene.
What is the SMILES notation for (6S,6aR,12aR)-6-phenyl-6,6a,7,12a-tetrahydrochromeno[3,2-c]chromene?
The canonical SMILES for (6S,6aR,12aR)-6-phenyl-6,6a,7,12a-tetrahydrochromeno[3,2-c]chromene is c1ccc([C@H]2Oc3ccccc3[C@@H]3Oc4ccccc4C[C@H]23)cc1.
What is the InChIKey of (6S,6aR,12aR)-6-phenyl-6,6a,7,12a-tetrahydrochromeno[3,2-c]chromene?
The InChIKey is SXZDARLYEGHHER-QIJUGHKUSA-N. The full InChI is InChI=1S/C22H18O2/c1-2-8-15(9-3-1)21-18-14-16-10-4-6-12-19(16)23-22(18)17-11-5-7-13-20(17)24-21/h1-13,18,21-22H,14H2/t18-,21-,22+/m1/s1.
What are the key properties of (6S,6aR,12aR)-6-phenyl-6,6a,7,12a-tetrahydrochromeno[3,2-c]chromene?
(6S,6aR,12aR)-6-phenyl-6,6a,7,12a-tetrahydrochromeno[3,2-c]chromene has a molecular weight of 314.38 g/mol, XLogP of 5.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,6aR,12aR)-6-phenyl-6,6a,7,12a-tetrahydrochromeno[3,2-c]chromene is sourced from PubChem (CID 7432068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).