2-(9H-fluoren-1-yl)-4-methyl-3-propoxy-7-oxabicyclo[4.1.0]hepta-1(6),2,4-triene

C23H20O2 — CID 175368641

IUPAC2-(9H-fluoren-1-yl)-4-methyl-3-propoxy-7-oxabicyclo[4.1.0]hepta-1(6),2,4-triene
SMILESCCCOc1c(C)cc2c(c1-c1cccc3c1Cc1ccccc1-3)O2
InChIInChI=1S/C23H20O2/c1-3-11-24-22-14(2)12-20-23(25-20)21(22)18-10-6-9-17-16-8-5-4-7-15(16)13-19(17)18/h4-10,12H,3,11,13H2,1-2H3
InChIKeyPOQNZEYUHKNNQS-UHFFFAOYSA-N
MW328.41 g/mol
LogP6.13
Rot. Bonds4

About 2-(9H-fluoren-1-yl)-4-methyl-3-propoxy-7-oxabicyclo[4.1.0]hepta-1(6),2,4-triene

2-(9H-fluoren-1-yl)-4-methyl-3-propoxy-7-oxabicyclo[4.1.0]hepta-1(6),2,4-triene (PubChem CID 175368641) has the molecular formula C23H20O2 and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-(9H-fluoren-1-yl)-4-methyl-3-propoxy-7-oxabicyclo[4.1.0]hepta-1(6),2,4-triene.

Molecular Properties

Compound Name2-(9H-fluoren-1-yl)-4-methyl-3-propoxy-7-oxabicyclo[4.1.0]hepta-1(6),2,4-triene
PubChem CID175368641
Molecular FormulaC23H20O2
Molecular Weight328.41 g/mol
Exact Mass328.15
IUPAC Name2-(9H-fluoren-1-yl)-4-methyl-3-propoxy-7-oxabicyclo[4.1.0]hepta-1(6),2,4-triene
SMILESCCCOc1c(C)cc2c(c1-c1cccc3c1Cc1ccccc1-3)O2
InChIInChI=1S/C23H20O2/c1-3-11-24-22-14(2)12-20-23(25-20)21(22)18-10-6-9-17-16-8-5-4-7-15(16)13-19(17)18/h4-10,12H,3,11,13H2,1-2H3
InChIKeyPOQNZEYUHKNNQS-UHFFFAOYSA-N
XLogP6.13
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.41
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene
CID 141308542
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
1,2-dibutoxy-9H-fluorene;9H-fluorene
CID 158569964
2-[4-(9H-fluoren-1-yl)-2-methylphenoxy]ethanol
CID 66730243
2-[4-(9H-fluoren-1-yl)-2,6-diphenylphenoxy]ethanol
CID 67660456
2-[2,6-di(butan-2-yl)-4-(9H-fluoren-1-yl)phenoxy]ethanol
CID 67661007
4-propoxy-10H-anthracen-9-one
CID 102119580
1-chloro-3-methyl-4-propoxy-9H-thioxanthene 10-oxide
CID 67095502
2-[[1-[2-(diethylamino)ethoxy]-9H-fluoren-2-yl]oxy]-N,N-diethylethanamine;dihydrochloride
CID 141137663
1-(2-ethyl-9H-fluoren-1-yl)-4,5-dimethyl-9H-fluorene
CID 22912623
10,13-dimethyltetracyclo[14.4.0.02,7.09,14]icosa-1(20),2,4,6,9,11,13,16,18-nonaene
CID 10755502
2-methyl-11,12-dihydroindeno[2,1-a]fluorene
CID 91412368

Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-1-yl)-4-methyl-3-propoxy-7-oxabicyclo[4.1.0]hepta-1(6),2,4-triene?
The IUPAC name of 2-(9H-fluoren-1-yl)-4-methyl-3-propoxy-7-oxabicyclo[4.1.0]hepta-1(6),2,4-triene (CID 175368641) is 2-(9H-fluoren-1-yl)-4-methyl-3-propoxy-7-oxabicyclo[4.1.0]hepta-1(6),2,4-triene.
What is the SMILES notation for 2-(9H-fluoren-1-yl)-4-methyl-3-propoxy-7-oxabicyclo[4.1.0]hepta-1(6),2,4-triene?
The canonical SMILES for 2-(9H-fluoren-1-yl)-4-methyl-3-propoxy-7-oxabicyclo[4.1.0]hepta-1(6),2,4-triene is CCCOc1c(C)cc2c(c1-c1cccc3c1Cc1ccccc1-3)O2.
What is the InChIKey of 2-(9H-fluoren-1-yl)-4-methyl-3-propoxy-7-oxabicyclo[4.1.0]hepta-1(6),2,4-triene?
The InChIKey is POQNZEYUHKNNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O2/c1-3-11-24-22-14(2)12-20-23(25-20)21(22)18-10-6-9-17-16-8-5-4-7-15(16)13-19(17)18/h4-10,12H,3,11,13H2,1-2H3.
What are the key properties of 2-(9H-fluoren-1-yl)-4-methyl-3-propoxy-7-oxabicyclo[4.1.0]hepta-1(6),2,4-triene?
2-(9H-fluoren-1-yl)-4-methyl-3-propoxy-7-oxabicyclo[4.1.0]hepta-1(6),2,4-triene has a molecular weight of 328.41 g/mol, XLogP of 6.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-1-yl)-4-methyl-3-propoxy-7-oxabicyclo[4.1.0]hepta-1(6),2,4-triene is sourced from PubChem (CID 175368641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).