2-[2-[4-(9H-fluoren-1-yl)-2-methylphenoxy]ethoxymethyl]thiirane

C25H24O2S — CID 170317959

IUPAC2-[2-[4-(9H-fluoren-1-yl)-2-methylphenoxy]ethoxymethyl]thiirane
SMILESCc1cc(-c2cccc3c2Cc2ccccc2-3)ccc1OCCOCC1CS1
InChIInChI=1S/C25H24O2S/c1-17-13-19(9-10-25(17)27-12-11-26-15-20-16-28-20)22-7-4-8-23-21-6-3-2-5-18(21)14-24(22)23/h2-10,13,20H,11-12,14-16H2,1H3
InChIKeyRUNPGDZXHXGDOQ-UHFFFAOYSA-N
MW388.53 g/mol
LogP5.74
Rot. Bonds7

About 2-[2-[4-(9H-fluoren-1-yl)-2-methylphenoxy]ethoxymethyl]thiirane

2-[2-[4-(9H-fluoren-1-yl)-2-methylphenoxy]ethoxymethyl]thiirane (PubChem CID 170317959) has the molecular formula C25H24O2S and a molecular weight of 388.53 g/mol. Its IUPAC name is 2-[2-[4-(9H-fluoren-1-yl)-2-methylphenoxy]ethoxymethyl]thiirane.

Molecular Properties

Compound Name2-[2-[4-(9H-fluoren-1-yl)-2-methylphenoxy]ethoxymethyl]thiirane
PubChem CID170317959
Molecular FormulaC25H24O2S
Molecular Weight388.53 g/mol
Exact Mass388.15
IUPAC Name2-[2-[4-(9H-fluoren-1-yl)-2-methylphenoxy]ethoxymethyl]thiirane
SMILESCc1cc(-c2cccc3c2Cc2ccccc2-3)ccc1OCCOCC1CS1
InChIInChI=1S/C25H24O2S/c1-17-13-19(9-10-25(17)27-12-11-26-15-20-16-28-20)22-7-4-8-23-21-6-3-2-5-18(21)14-24(22)23/h2-10,13,20H,11-12,14-16H2,1H3
InChIKeyRUNPGDZXHXGDOQ-UHFFFAOYSA-N
XLogP5.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.53
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(9H-fluoren-1-yl)-2-methylphenoxy]ethanol
CID 66730243
2-[2-[2-methyl-4-[1-[3-methyl-4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]-9H-fluoren-2-yl]phenoxy]ethoxymethyl]oxirane
CID 161234514
[4-(9H-fluoren-1-yl)-2-methylphenyl] cyanate
CID 159261895
2-[2-[4-(9H-fluoren-1-yl)naphthalen-1-yl]oxyethoxymethyl]oxirane
CID 172716035
1-(4-ethoxy-3-propan-2-ylphenyl)-9H-fluorene
CID 175394997
(2S)-2-[[2-[2-[2-[2-[[(2S)-thiiran-2-yl]methoxy]phenoxy]ethoxy]ethoxy]phenoxy]methyl]thiirane
CID 122396205
1-[3-(3-methylphenyl)phenyl]-9H-fluorene
CID 159755340
1-[4-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-9H-fluorene
CID 145108730
2,11-bis(9H-fluoren-1-yl)triphenylene
CID 59489264
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
2-(9H-fluoren-1-yl)anthracene
CID 151119003
2-[2-methyl-4-(2-methylphenyl)phenoxy]ethanamine;hydrochloride
CID 163408307

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(9H-fluoren-1-yl)-2-methylphenoxy]ethoxymethyl]thiirane?
The IUPAC name of 2-[2-[4-(9H-fluoren-1-yl)-2-methylphenoxy]ethoxymethyl]thiirane (CID 170317959) is 2-[2-[4-(9H-fluoren-1-yl)-2-methylphenoxy]ethoxymethyl]thiirane.
What is the SMILES notation for 2-[2-[4-(9H-fluoren-1-yl)-2-methylphenoxy]ethoxymethyl]thiirane?
The canonical SMILES for 2-[2-[4-(9H-fluoren-1-yl)-2-methylphenoxy]ethoxymethyl]thiirane is Cc1cc(-c2cccc3c2Cc2ccccc2-3)ccc1OCCOCC1CS1.
What is the InChIKey of 2-[2-[4-(9H-fluoren-1-yl)-2-methylphenoxy]ethoxymethyl]thiirane?
The InChIKey is RUNPGDZXHXGDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O2S/c1-17-13-19(9-10-25(17)27-12-11-26-15-20-16-28-20)22-7-4-8-23-21-6-3-2-5-18(21)14-24(22)23/h2-10,13,20H,11-12,14-16H2,1H3.
What are the key properties of 2-[2-[4-(9H-fluoren-1-yl)-2-methylphenoxy]ethoxymethyl]thiirane?
2-[2-[4-(9H-fluoren-1-yl)-2-methylphenoxy]ethoxymethyl]thiirane has a molecular weight of 388.53 g/mol, XLogP of 5.74, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(9H-fluoren-1-yl)-2-methylphenoxy]ethoxymethyl]thiirane is sourced from PubChem (CID 170317959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).