7-methoxy-12,12-dimethyl-5a,12b-dihydrofluoreno[2,1-b][1]benzofuran

C22H20O2 — CID 134218009

IUPAC7-methoxy-12,12-dimethyl-5a,12b-dihydrofluoreno[2,1-b][1]benzofuran
SMILESCOC1=CC2Oc3ccccc3C2C2=C1c1ccccc1C2(C)C
InChIInChI=1S/C22H20O2/c1-22(2)15-10-6-4-8-13(15)19-17(23-3)12-18-20(21(19)22)14-9-5-7-11-16(14)24-18/h4-12,18,20H,1-3H3
InChIKeyMJAQMYMEXWOSRT-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.82
Rot. Bonds1

About 7-methoxy-12,12-dimethyl-5a,12b-dihydrofluoreno[2,1-b][1]benzofuran

7-methoxy-12,12-dimethyl-5a,12b-dihydrofluoreno[2,1-b][1]benzofuran (PubChem CID 134218009) has the molecular formula C22H20O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 7-methoxy-12,12-dimethyl-5a,12b-dihydrofluoreno[2,1-b][1]benzofuran.

Molecular Properties

Compound Name7-methoxy-12,12-dimethyl-5a,12b-dihydrofluoreno[2,1-b][1]benzofuran
PubChem CID134218009
Molecular FormulaC22H20O2
Molecular Weight316.40 g/mol
Exact Mass316.15
IUPAC Name7-methoxy-12,12-dimethyl-5a,12b-dihydrofluoreno[2,1-b][1]benzofuran
SMILESCOC1=CC2Oc3ccccc3C2C2=C1c1ccccc1C2(C)C
InChIInChI=1S/C22H20O2/c1-22(2)15-10-6-4-8-13(15)19-17(23-3)12-18-20(21(19)22)14-9-5-7-11-16(14)24-18/h4-12,18,20H,1-3H3
InChIKeyMJAQMYMEXWOSRT-UHFFFAOYSA-N
XLogP4.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

10-fluoren-9-ylidene-9,9-dimethylanthracene
CID 10832973
16-(9,9-dimethylfluoren-1-yl)-27-oxa-3,10,12-triazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.021,26]triaconta-1(29),2(11),5,7,13(18),14,16,19(30),21,23,25-undecaene
CID 144984750
4-methoxy-2-(4-methoxyphenyl)-2H-chromene
CID 154356806
1-(9,9-dimethylfluoren-1-yl)-9,9-dimethylxanthene
CID 177127970
6-(4-methoxyphenyl)-6H-benzo[c]chromene
CID 86088499
4-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluorene
CID 166563569
2,3-dimethoxy-9,9-dimethylfluorene
CID 134997139
6b-methyl-1aH-oxireno[2,3-b][1]benzofuran
CID 54113383
21,21-dimethyl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,8,10,12,15,17,19-nonaene
CID 67382723
11,12,12-trimethyl-11H-indeno[2,1-a]fluorene
CID 155761835
(2S,4S)-2,4-dimethoxy-2-methyl-3,4-dihydrochromene
CID 101362429
1'-(9,9-dimethylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]
CID 170018138

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-12,12-dimethyl-5a,12b-dihydrofluoreno[2,1-b][1]benzofuran?
The IUPAC name of 7-methoxy-12,12-dimethyl-5a,12b-dihydrofluoreno[2,1-b][1]benzofuran (CID 134218009) is 7-methoxy-12,12-dimethyl-5a,12b-dihydrofluoreno[2,1-b][1]benzofuran.
What is the SMILES notation for 7-methoxy-12,12-dimethyl-5a,12b-dihydrofluoreno[2,1-b][1]benzofuran?
The canonical SMILES for 7-methoxy-12,12-dimethyl-5a,12b-dihydrofluoreno[2,1-b][1]benzofuran is COC1=CC2Oc3ccccc3C2C2=C1c1ccccc1C2(C)C.
What is the InChIKey of 7-methoxy-12,12-dimethyl-5a,12b-dihydrofluoreno[2,1-b][1]benzofuran?
The InChIKey is MJAQMYMEXWOSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O2/c1-22(2)15-10-6-4-8-13(15)19-17(23-3)12-18-20(21(19)22)14-9-5-7-11-16(14)24-18/h4-12,18,20H,1-3H3.
What are the key properties of 7-methoxy-12,12-dimethyl-5a,12b-dihydrofluoreno[2,1-b][1]benzofuran?
7-methoxy-12,12-dimethyl-5a,12b-dihydrofluoreno[2,1-b][1]benzofuran has a molecular weight of 316.40 g/mol, XLogP of 4.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-12,12-dimethyl-5a,12b-dihydrofluoreno[2,1-b][1]benzofuran is sourced from PubChem (CID 134218009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).