9-(4-ethoxyphenyl)-9-(4-methoxyphenyl)fluorene

C28H24O2 — CID 21037516

IUPAC9-(4-ethoxyphenyl)-9-(4-methoxyphenyl)fluorene
SMILESCCOc1ccc(C2(c3ccc(OC)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C28H24O2/c1-3-30-23-18-14-21(15-19-23)28(20-12-16-22(29-2)17-13-20)26-10-6-4-8-24(26)25-9-5-7-11-27(25)28/h4-19H,3H2,1-2H3
InChIKeyBPUSYOMISDNBGC-UHFFFAOYSA-N
MW392.50 g/mol
LogP6.46
Rot. Bonds5

About 9-(4-ethoxyphenyl)-9-(4-methoxyphenyl)fluorene

9-(4-ethoxyphenyl)-9-(4-methoxyphenyl)fluorene (PubChem CID 21037516) has the molecular formula C28H24O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 9-(4-ethoxyphenyl)-9-(4-methoxyphenyl)fluorene.

Molecular Properties

Compound Name9-(4-ethoxyphenyl)-9-(4-methoxyphenyl)fluorene
PubChem CID21037516
Molecular FormulaC28H24O2
Molecular Weight392.50 g/mol
Exact Mass392.18
IUPAC Name9-(4-ethoxyphenyl)-9-(4-methoxyphenyl)fluorene
SMILESCCOc1ccc(C2(c3ccc(OC)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C28H24O2/c1-3-30-23-18-14-21(15-19-23)28(20-12-16-22(29-2)17-13-20)26-10-6-4-8-24(26)25-9-5-7-11-27(25)28/h4-19H,3H2,1-2H3
InChIKeyBPUSYOMISDNBGC-UHFFFAOYSA-N
XLogP6.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(4-ethoxyphenyl)-9-(4-methoxyphenyl)fluorene?
The IUPAC name of 9-(4-ethoxyphenyl)-9-(4-methoxyphenyl)fluorene (CID 21037516) is 9-(4-ethoxyphenyl)-9-(4-methoxyphenyl)fluorene.
What is the SMILES notation for 9-(4-ethoxyphenyl)-9-(4-methoxyphenyl)fluorene?
The canonical SMILES for 9-(4-ethoxyphenyl)-9-(4-methoxyphenyl)fluorene is CCOc1ccc(C2(c3ccc(OC)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 9-(4-ethoxyphenyl)-9-(4-methoxyphenyl)fluorene?
The InChIKey is BPUSYOMISDNBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24O2/c1-3-30-23-18-14-21(15-19-23)28(20-12-16-22(29-2)17-13-20)26-10-6-4-8-24(26)25-9-5-7-11-27(25)28/h4-19H,3H2,1-2H3.
What are the key properties of 9-(4-ethoxyphenyl)-9-(4-methoxyphenyl)fluorene?
9-(4-ethoxyphenyl)-9-(4-methoxyphenyl)fluorene has a molecular weight of 392.50 g/mol, XLogP of 6.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-ethoxyphenyl)-9-(4-methoxyphenyl)fluorene is sourced from PubChem (CID 21037516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).