2-ethoxy-1-naphthalen-1-yl-9H-fluorene

C25H20O — CID 91339111

IUPAC2-ethoxy-1-naphthalen-1-yl-9H-fluorene
SMILESCCOc1ccc2c(c1-c1cccc3ccccc13)Cc1ccccc1-2
InChIInChI=1S/C25H20O/c1-2-26-24-15-14-21-20-12-6-4-9-18(20)16-23(21)25(24)22-13-7-10-17-8-3-5-11-19(17)22/h3-15H,2,16H2,1H3
InChIKeyYIEPVUSIEHWDDD-UHFFFAOYSA-N
MW336.43 g/mol
LogP6.48
Rot. Bonds3

About 2-ethoxy-1-naphthalen-1-yl-9H-fluorene

2-ethoxy-1-naphthalen-1-yl-9H-fluorene (PubChem CID 91339111) has the molecular formula C25H20O and a molecular weight of 336.43 g/mol. Its IUPAC name is 2-ethoxy-1-naphthalen-1-yl-9H-fluorene.

Molecular Properties

Compound Name2-ethoxy-1-naphthalen-1-yl-9H-fluorene
PubChem CID91339111
Molecular FormulaC25H20O
Molecular Weight336.43 g/mol
Exact Mass336.15
IUPAC Name2-ethoxy-1-naphthalen-1-yl-9H-fluorene
SMILESCCOc1ccc2c(c1-c1cccc3ccccc13)Cc1ccccc1-2
InChIInChI=1S/C25H20O/c1-2-26-24-15-14-21-20-12-6-4-9-18(20)16-23(21)25(24)22-13-7-10-17-8-3-5-11-19(17)22/h3-15H,2,16H2,1H3
InChIKeyYIEPVUSIEHWDDD-UHFFFAOYSA-N
XLogP6.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.43
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-naphthalen-1-yl-9H-fluorene?
The IUPAC name of 2-ethoxy-1-naphthalen-1-yl-9H-fluorene (CID 91339111) is 2-ethoxy-1-naphthalen-1-yl-9H-fluorene.
What is the SMILES notation for 2-ethoxy-1-naphthalen-1-yl-9H-fluorene?
The canonical SMILES for 2-ethoxy-1-naphthalen-1-yl-9H-fluorene is CCOc1ccc2c(c1-c1cccc3ccccc13)Cc1ccccc1-2.
What is the InChIKey of 2-ethoxy-1-naphthalen-1-yl-9H-fluorene?
The InChIKey is YIEPVUSIEHWDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20O/c1-2-26-24-15-14-21-20-12-6-4-9-18(20)16-23(21)25(24)22-13-7-10-17-8-3-5-11-19(17)22/h3-15H,2,16H2,1H3.
What are the key properties of 2-ethoxy-1-naphthalen-1-yl-9H-fluorene?
2-ethoxy-1-naphthalen-1-yl-9H-fluorene has a molecular weight of 336.43 g/mol, XLogP of 6.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-naphthalen-1-yl-9H-fluorene is sourced from PubChem (CID 91339111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).