(4bR,10aS)-2,8-dichloro-4b,10,10a,11-tetrahydroindeno[1,2-b]chromene

C16H12Cl2O — CID 22826681

IUPAC(4bR,10aS)-2,8-dichloro-4b,10,10a,11-tetrahydroindeno[1,2-b]chromene
SMILESClc1ccc2c(c1)C[C@@H]1Cc3cc(Cl)ccc3[C@@H]1O2
InChIInChI=1S/C16H12Cl2O/c17-12-1-3-14-9(7-12)5-11-6-10-8-13(18)2-4-15(10)19-16(11)14/h1-4,7-8,11,16H,5-6H2/t11-,16+/m0/s1
InChIKeyVOKUFFKIQLUNFK-MEDUHNTESA-N
MW291.18 g/mol
LogP4.84
Rot. Bonds

About (4bR,10aS)-2,8-dichloro-4b,10,10a,11-tetrahydroindeno[1,2-b]chromene

(4bR,10aS)-2,8-dichloro-4b,10,10a,11-tetrahydroindeno[1,2-b]chromene (PubChem CID 22826681) has the molecular formula C16H12Cl2O and a molecular weight of 291.18 g/mol. Its IUPAC name is (4bR,10aS)-2,8-dichloro-4b,10,10a,11-tetrahydroindeno[1,2-b]chromene.

Molecular Properties

Compound Name(4bR,10aS)-2,8-dichloro-4b,10,10a,11-tetrahydroindeno[1,2-b]chromene
PubChem CID22826681
Molecular FormulaC16H12Cl2O
Molecular Weight291.18 g/mol
Exact Mass290.03
IUPAC Name(4bR,10aS)-2,8-dichloro-4b,10,10a,11-tetrahydroindeno[1,2-b]chromene
SMILESClc1ccc2c(c1)C[C@@H]1Cc3cc(Cl)ccc3[C@@H]1O2
InChIInChI=1S/C16H12Cl2O/c17-12-1-3-14-9(7-12)5-11-6-10-8-13(18)2-4-15(10)19-16(11)14/h1-4,7-8,11,16H,5-6H2/t11-,16+/m0/s1
InChIKeyVOKUFFKIQLUNFK-MEDUHNTESA-N
XLogP4.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4bR,10aS)-2,8-dichloro-4b,10,10a,11-tetrahydroindeno[1,2-b]chromene?
The IUPAC name of (4bR,10aS)-2,8-dichloro-4b,10,10a,11-tetrahydroindeno[1,2-b]chromene (CID 22826681) is (4bR,10aS)-2,8-dichloro-4b,10,10a,11-tetrahydroindeno[1,2-b]chromene.
What is the SMILES notation for (4bR,10aS)-2,8-dichloro-4b,10,10a,11-tetrahydroindeno[1,2-b]chromene?
The canonical SMILES for (4bR,10aS)-2,8-dichloro-4b,10,10a,11-tetrahydroindeno[1,2-b]chromene is Clc1ccc2c(c1)C[C@@H]1Cc3cc(Cl)ccc3[C@@H]1O2.
What is the InChIKey of (4bR,10aS)-2,8-dichloro-4b,10,10a,11-tetrahydroindeno[1,2-b]chromene?
The InChIKey is VOKUFFKIQLUNFK-MEDUHNTESA-N. The full InChI is InChI=1S/C16H12Cl2O/c17-12-1-3-14-9(7-12)5-11-6-10-8-13(18)2-4-15(10)19-16(11)14/h1-4,7-8,11,16H,5-6H2/t11-,16+/m0/s1.
What are the key properties of (4bR,10aS)-2,8-dichloro-4b,10,10a,11-tetrahydroindeno[1,2-b]chromene?
(4bR,10aS)-2,8-dichloro-4b,10,10a,11-tetrahydroindeno[1,2-b]chromene has a molecular weight of 291.18 g/mol, XLogP of 4.84, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4bR,10aS)-2,8-dichloro-4b,10,10a,11-tetrahydroindeno[1,2-b]chromene is sourced from PubChem (CID 22826681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).