(4bR,10bR)-11,11-dimethyl-6,10b-dihydro-4bH-isochromeno[4,3-c]chromene

C18H18O2 — CID 102277489

IUPAC(4bR,10bR)-11,11-dimethyl-6,10b-dihydro-4bH-isochromeno[4,3-c]chromene
SMILESCC1(C)Oc2ccccc2[C@@H]2OCc3ccccc3[C@H]21
InChIInChI=1S/C18H18O2/c1-18(2)16-13-8-4-3-7-12(13)11-19-17(16)14-9-5-6-10-15(14)20-18/h3-10,16-17H,11H2,1-2H3/t16-,17+/m1/s1
InChIKeyKTEQQFGXSNGSRQ-SJORKVTESA-N
MW266.34 g/mol
LogP4.21
Rot. Bonds

About (4bR,10bR)-11,11-dimethyl-6,10b-dihydro-4bH-isochromeno[4,3-c]chromene

(4bR,10bR)-11,11-dimethyl-6,10b-dihydro-4bH-isochromeno[4,3-c]chromene (PubChem CID 102277489) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (4bR,10bR)-11,11-dimethyl-6,10b-dihydro-4bH-isochromeno[4,3-c]chromene.

Molecular Properties

Compound Name(4bR,10bR)-11,11-dimethyl-6,10b-dihydro-4bH-isochromeno[4,3-c]chromene
PubChem CID102277489
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name(4bR,10bR)-11,11-dimethyl-6,10b-dihydro-4bH-isochromeno[4,3-c]chromene
SMILESCC1(C)Oc2ccccc2[C@@H]2OCc3ccccc3[C@H]21
InChIInChI=1S/C18H18O2/c1-18(2)16-13-8-4-3-7-12(13)11-19-17(16)14-9-5-6-10-15(14)20-18/h3-10,16-17H,11H2,1-2H3/t16-,17+/m1/s1
InChIKeyKTEQQFGXSNGSRQ-SJORKVTESA-N
XLogP4.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4bR,10bR)-11,11-dimethyl-6,10b-dihydro-4bH-isochromeno[4,3-c]chromene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1,3-dihydro-2-benzofuran-1-amine
CID 141076317
(4aS,10bS)-2,2,5,5-tetramethyl-3,4,4a,10b-tetrahydropyrano[3,2-c]chromene
CID 101012031
(3S,4R)-4-methoxy-2,2-dimethyl-3,4-dihydrochromen-3-ol
CID 134968733
1,3-dihydro-2-benzofuran-1-yl(trimethyl)silane
CID 85354149
3,4-dimethyl-3,4-dihydro-1H-isochromene
CID 12794873
(3aS,9bR)-3,3-dimethyl-5,9b-dihydro-3aH-cyclopenta[c]isochromene
CID 102119851
1-(2,2-dimethyl-3,4-dihydrochromen-3-yl)ethanone
CID 172679993
2,2-dimethyl-N-(oxetan-3-yl)-3H-1-benzofuran-3-amine
CID 106701264
ethane;2,2,3-trimethyl-3,4-dihydrochromen-4-ol
CID 90742078
(3R,4R)-3,4-diphenyl-3,4-dihydro-1H-isochromene
CID 11119699
(3S,4R)-4-ethoxy-2,2-dimethyl-3,4-dihydrochromen-3-ol
CID 177434477
(3R,4S)-4-(dimethylamino)-2,2-dimethyl-3,4-dihydrochromen-3-ol;hydrochloride
CID 70620580

Frequently Asked Questions

What is the IUPAC name of (4bR,10bR)-11,11-dimethyl-6,10b-dihydro-4bH-isochromeno[4,3-c]chromene?
The IUPAC name of (4bR,10bR)-11,11-dimethyl-6,10b-dihydro-4bH-isochromeno[4,3-c]chromene (CID 102277489) is (4bR,10bR)-11,11-dimethyl-6,10b-dihydro-4bH-isochromeno[4,3-c]chromene.
What is the SMILES notation for (4bR,10bR)-11,11-dimethyl-6,10b-dihydro-4bH-isochromeno[4,3-c]chromene?
The canonical SMILES for (4bR,10bR)-11,11-dimethyl-6,10b-dihydro-4bH-isochromeno[4,3-c]chromene is CC1(C)Oc2ccccc2[C@@H]2OCc3ccccc3[C@H]21.
What is the InChIKey of (4bR,10bR)-11,11-dimethyl-6,10b-dihydro-4bH-isochromeno[4,3-c]chromene?
The InChIKey is KTEQQFGXSNGSRQ-SJORKVTESA-N. The full InChI is InChI=1S/C18H18O2/c1-18(2)16-13-8-4-3-7-12(13)11-19-17(16)14-9-5-6-10-15(14)20-18/h3-10,16-17H,11H2,1-2H3/t16-,17+/m1/s1.
What are the key properties of (4bR,10bR)-11,11-dimethyl-6,10b-dihydro-4bH-isochromeno[4,3-c]chromene?
(4bR,10bR)-11,11-dimethyl-6,10b-dihydro-4bH-isochromeno[4,3-c]chromene has a molecular weight of 266.34 g/mol, XLogP of 4.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4bR,10bR)-11,11-dimethyl-6,10b-dihydro-4bH-isochromeno[4,3-c]chromene is sourced from PubChem (CID 102277489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).