2-[[4-(9H-fluoren-1-yl)phenyl]methyl]oxirane

C22H18O — CID 175054294

IUPAC2-[[4-(9H-fluoren-1-yl)phenyl]methyl]oxirane
SMILESc1ccc2c(c1)Cc1c(-c3ccc(CC4CO4)cc3)cccc1-2
InChIInChI=1S/C22H18O/c1-2-5-20-17(4-1)13-22-19(6-3-7-21(20)22)16-10-8-15(9-11-16)12-18-14-23-18/h1-11,18H,12-14H2
InChIKeyZCDRUFXAAXLTSZ-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.87
Rot. Bonds3

About 2-[[4-(9H-fluoren-1-yl)phenyl]methyl]oxirane

2-[[4-(9H-fluoren-1-yl)phenyl]methyl]oxirane (PubChem CID 175054294) has the molecular formula C22H18O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[[4-(9H-fluoren-1-yl)phenyl]methyl]oxirane.

Molecular Properties

Compound Name2-[[4-(9H-fluoren-1-yl)phenyl]methyl]oxirane
PubChem CID175054294
Molecular FormulaC22H18O
Molecular Weight298.39 g/mol
Exact Mass298.14
IUPAC Name2-[[4-(9H-fluoren-1-yl)phenyl]methyl]oxirane
SMILESc1ccc2c(c1)Cc1c(-c3ccc(CC4CO4)cc3)cccc1-2
InChIInChI=1S/C22H18O/c1-2-5-20-17(4-1)13-22-19(6-3-7-21(20)22)16-10-8-15(9-11-16)12-18-14-23-18/h1-11,18H,12-14H2
InChIKeyZCDRUFXAAXLTSZ-UHFFFAOYSA-N
XLogP4.87
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
1-(4-iodophenyl)-9H-fluorene
CID 154332097
1-[2-(4-phenylphenyl)phenyl]-9H-fluorene
CID 174460318
4-(9H-fluoren-1-yl)benzonitrile
CID 154389455
N-[4-(9H-fluoren-1-yl)phenyl]-4-[4-(N-[4-(9H-fluoren-1-yl)phenyl]anilino)phenyl]-N-phenylaniline
CID 157272103
1-[4-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-9H-fluorene
CID 145108730
1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene
CID 141308542
2,11-bis(9H-fluoren-1-yl)triphenylene
CID 59489264
4-[4-(9H-fluoren-1-yl)phenoxy]aniline
CID 141303700
dibenzofuran;1-phenyl-9H-fluorene
CID 175545610
2-(9H-fluoren-1-yl)anthracene
CID 151119003
1,2-bis(4-ethylphenyl)-9H-fluorene
CID 151520467

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(9H-fluoren-1-yl)phenyl]methyl]oxirane?
The IUPAC name of 2-[[4-(9H-fluoren-1-yl)phenyl]methyl]oxirane (CID 175054294) is 2-[[4-(9H-fluoren-1-yl)phenyl]methyl]oxirane.
What is the SMILES notation for 2-[[4-(9H-fluoren-1-yl)phenyl]methyl]oxirane?
The canonical SMILES for 2-[[4-(9H-fluoren-1-yl)phenyl]methyl]oxirane is c1ccc2c(c1)Cc1c(-c3ccc(CC4CO4)cc3)cccc1-2.
What is the InChIKey of 2-[[4-(9H-fluoren-1-yl)phenyl]methyl]oxirane?
The InChIKey is ZCDRUFXAAXLTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O/c1-2-5-20-17(4-1)13-22-19(6-3-7-21(20)22)16-10-8-15(9-11-16)12-18-14-23-18/h1-11,18H,12-14H2.
What are the key properties of 2-[[4-(9H-fluoren-1-yl)phenyl]methyl]oxirane?
2-[[4-(9H-fluoren-1-yl)phenyl]methyl]oxirane has a molecular weight of 298.39 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(9H-fluoren-1-yl)phenyl]methyl]oxirane is sourced from PubChem (CID 175054294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).