(6aR,11aR)-3,8,9-trimethoxy-6,6-dimethyl-6a,11a-dihydroindeno[1,2-c]chromen-11-one

C21H22O5 — CID 42611874

IUPAC(6aR,11aR)-3,8,9-trimethoxy-6,6-dimethyl-6a,11a-dihydroindeno[1,2-c]chromen-11-one
SMILESCOc1ccc2c(c1)OC(C)(C)[C@H]1c3cc(OC)c(OC)cc3C(=O)[C@@H]21
InChIInChI=1S/C21H22O5/c1-21(2)19-13-9-16(24-4)17(25-5)10-14(13)20(22)18(19)12-7-6-11(23-3)8-15(12)26-21/h6-10,18-19H,1-5H3/t18-,19-/m0/s1
InChIKeyFWGCEEWBVLNLFE-OALUTQOASA-N
MW354.40 g/mol
LogP3.95
Rot. Bonds3

About (6aR,11aR)-3,8,9-trimethoxy-6,6-dimethyl-6a,11a-dihydroindeno[1,2-c]chromen-11-one

(6aR,11aR)-3,8,9-trimethoxy-6,6-dimethyl-6a,11a-dihydroindeno[1,2-c]chromen-11-one (PubChem CID 42611874) has the molecular formula C21H22O5 and a molecular weight of 354.40 g/mol. Its IUPAC name is (6aR,11aR)-3,8,9-trimethoxy-6,6-dimethyl-6a,11a-dihydroindeno[1,2-c]chromen-11-one.

Molecular Properties

Compound Name(6aR,11aR)-3,8,9-trimethoxy-6,6-dimethyl-6a,11a-dihydroindeno[1,2-c]chromen-11-one
PubChem CID42611874
Molecular FormulaC21H22O5
Molecular Weight354.40 g/mol
Exact Mass354.15
IUPAC Name(6aR,11aR)-3,8,9-trimethoxy-6,6-dimethyl-6a,11a-dihydroindeno[1,2-c]chromen-11-one
SMILESCOc1ccc2c(c1)OC(C)(C)[C@H]1c3cc(OC)c(OC)cc3C(=O)[C@@H]21
InChIInChI=1S/C21H22O5/c1-21(2)19-13-9-16(24-4)17(25-5)10-14(13)20(22)18(19)12-7-6-11(23-3)8-15(12)26-21/h6-10,18-19H,1-5H3/t18-,19-/m0/s1
InChIKeyFWGCEEWBVLNLFE-OALUTQOASA-N
XLogP3.95
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6aR,11aR)-3,8,9-trimethoxy-6,6-dimethyl-6a,11a-dihydroindeno[1,2-c]chromen-11-one with MolForge

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Related Compounds

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CID 70492081
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6,7-dimethoxy-2,2-dimethyl-3,4-dihydrochromene-3,4-diol
CID 13422120
(3S,4S)-4-[4-(2-bromoethoxy)phenyl]-7-methoxy-2,2-dimethyl-3-phenyl-3,4-dihydrochromene
CID 3079012
2-[4-(7-methoxy-2,2-dimethyl-3-phenyl-3,4-dihydrochromen-4-yl)phenoxy]ethanol
CID 21155263
6-methoxy-2,2-dimethyl-4-oxo-3H-chromene-3-carbaldehyde
CID 4126490
(6R,6aS,12bR)-6-(3,4-dimethoxyphenyl)-3,10,11,12-tetramethoxy-6a,12b-dihydro-6H-isochromeno[3,4-c]chromen-8-one
CID 14463108
(6aS,12aR)-9-methoxy-6,6-dimethyl-6a,12a-dihydrothiochromeno[3,4-b]chromen-12-one
CID 10064957
3-[2-hydroxyethyl(methyl)amino]-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 82187476
1-[2-[4-(7-methoxy-2,2-dimethyl-3-phenyl-3,4-dihydrochromen-4-yl)phenoxy]ethyl]pyrrolidine;hydrochloride
CID 24845436
(3aR,9bS)-3a-iodo-7-methoxy-4,4-dimethyl-3,9b-dihydrofuro[3,2-c]chromen-2-one
CID 11485611
1-[3-[4-(7-methoxy-2,2-dimethyl-3-phenyl-3,4-dihydrochromen-4-yl)phenoxy]propyl]pyrrolidine;hydrochloride
CID 21154614

Frequently Asked Questions

What is the IUPAC name of (6aR,11aR)-3,8,9-trimethoxy-6,6-dimethyl-6a,11a-dihydroindeno[1,2-c]chromen-11-one?
The IUPAC name of (6aR,11aR)-3,8,9-trimethoxy-6,6-dimethyl-6a,11a-dihydroindeno[1,2-c]chromen-11-one (CID 42611874) is (6aR,11aR)-3,8,9-trimethoxy-6,6-dimethyl-6a,11a-dihydroindeno[1,2-c]chromen-11-one.
What is the SMILES notation for (6aR,11aR)-3,8,9-trimethoxy-6,6-dimethyl-6a,11a-dihydroindeno[1,2-c]chromen-11-one?
The canonical SMILES for (6aR,11aR)-3,8,9-trimethoxy-6,6-dimethyl-6a,11a-dihydroindeno[1,2-c]chromen-11-one is COc1ccc2c(c1)OC(C)(C)[C@H]1c3cc(OC)c(OC)cc3C(=O)[C@@H]21.
What is the InChIKey of (6aR,11aR)-3,8,9-trimethoxy-6,6-dimethyl-6a,11a-dihydroindeno[1,2-c]chromen-11-one?
The InChIKey is FWGCEEWBVLNLFE-OALUTQOASA-N. The full InChI is InChI=1S/C21H22O5/c1-21(2)19-13-9-16(24-4)17(25-5)10-14(13)20(22)18(19)12-7-6-11(23-3)8-15(12)26-21/h6-10,18-19H,1-5H3/t18-,19-/m0/s1.
What are the key properties of (6aR,11aR)-3,8,9-trimethoxy-6,6-dimethyl-6a,11a-dihydroindeno[1,2-c]chromen-11-one?
(6aR,11aR)-3,8,9-trimethoxy-6,6-dimethyl-6a,11a-dihydroindeno[1,2-c]chromen-11-one has a molecular weight of 354.40 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,11aR)-3,8,9-trimethoxy-6,6-dimethyl-6a,11a-dihydroindeno[1,2-c]chromen-11-one is sourced from PubChem (CID 42611874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).