4-methoxy-7,7-dimethylfluoreno[4,3-b][1]benzofuran

C22H18O2 — CID 169035230

IUPAC4-methoxy-7,7-dimethylfluoreno[4,3-b][1]benzofuran
SMILESCOc1cccc2oc3c4c(ccc3c12)C(C)(C)c1ccccc1-4
InChIInChI=1S/C22H18O2/c1-22(2)15-8-5-4-7-13(15)19-16(22)12-11-14-20-17(23-3)9-6-10-18(20)24-21(14)19/h4-12H,1-3H3
InChIKeyNEZQCBGQPAVVOH-UHFFFAOYSA-N
MW314.38 g/mol
LogP5.90
Rot. Bonds1

About 4-methoxy-7,7-dimethylfluoreno[4,3-b][1]benzofuran

4-methoxy-7,7-dimethylfluoreno[4,3-b][1]benzofuran (PubChem CID 169035230) has the molecular formula C22H18O2 and a molecular weight of 314.38 g/mol. Its IUPAC name is 4-methoxy-7,7-dimethylfluoreno[4,3-b][1]benzofuran.

Molecular Properties

Compound Name4-methoxy-7,7-dimethylfluoreno[4,3-b][1]benzofuran
PubChem CID169035230
Molecular FormulaC22H18O2
Molecular Weight314.38 g/mol
Exact Mass314.13
IUPAC Name4-methoxy-7,7-dimethylfluoreno[4,3-b][1]benzofuran
SMILESCOc1cccc2oc3c4c(ccc3c12)C(C)(C)c1ccccc1-4
InChIInChI=1S/C22H18O2/c1-22(2)15-8-5-4-7-13(15)19-16(22)12-11-14-20-17(23-3)9-6-10-18(20)24-21(14)19/h4-12H,1-3H3
InChIKeyNEZQCBGQPAVVOH-UHFFFAOYSA-N
XLogP5.90
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.38
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-4-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-4-amine
CID 142515726
(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)boronic acid
CID 123442682
5-bromo-7,7-dimethylfluoreno[4,3-b][1]benzofuran;7,7-dimethylfluoreno[4,3-b][1]benzofuran
CID 157381043
CID 147342280
CID 147342280
4-chloro-2-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran
CID 155005088
15-chloro-9,9-dimethyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 155005086
17,17,34,34-tetramethyl-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),7,9,11,14,18,21(33),22(30),24,26,28,31-pentadecaene
CID 58261464
7,7-dimethylfluoreno[2,3-b][1]benzofuran;7,7-dimethylfluoreno[4,3-b][1]benzofuran;12,12-dimethylfluoreno[1,2-b][1]benzofuran;12,12-dimethylfluoreno[2,1-b][1]benzofuran
CID 159580171
N-(9,9-dimethylfluoren-4-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-10-amine
CID 142515805
5-methoxy-39-oxadecacyclo[12.12.12.16,9.01,14.02,7.08,13.015,20.021,26.027,32.033,38]nonatriaconta-2(7),3,5,8(13),9,11,15,17,19,21,23,25,27,29,31,33,35,37-octadecaene
CID 153308817
14,14-dimethyl-7-(6-phenylpyren-1-yl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 170125911
10-(3-dibenzofuran-4-ylphenyl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran
CID 118553057

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-7,7-dimethylfluoreno[4,3-b][1]benzofuran?
The IUPAC name of 4-methoxy-7,7-dimethylfluoreno[4,3-b][1]benzofuran (CID 169035230) is 4-methoxy-7,7-dimethylfluoreno[4,3-b][1]benzofuran.
What is the SMILES notation for 4-methoxy-7,7-dimethylfluoreno[4,3-b][1]benzofuran?
The canonical SMILES for 4-methoxy-7,7-dimethylfluoreno[4,3-b][1]benzofuran is COc1cccc2oc3c4c(ccc3c12)C(C)(C)c1ccccc1-4.
What is the InChIKey of 4-methoxy-7,7-dimethylfluoreno[4,3-b][1]benzofuran?
The InChIKey is NEZQCBGQPAVVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O2/c1-22(2)15-8-5-4-7-13(15)19-16(22)12-11-14-20-17(23-3)9-6-10-18(20)24-21(14)19/h4-12H,1-3H3.
What are the key properties of 4-methoxy-7,7-dimethylfluoreno[4,3-b][1]benzofuran?
4-methoxy-7,7-dimethylfluoreno[4,3-b][1]benzofuran has a molecular weight of 314.38 g/mol, XLogP of 5.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-7,7-dimethylfluoreno[4,3-b][1]benzofuran is sourced from PubChem (CID 169035230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).