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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Related Compounds

decacyclo[18.18.0.02,17.04,16.05,13.07,12.021,37.024,36.025,34.028,33]octatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(37),22,24(36),25(34),26,28,30,32-heptadecaene
CID 160943205
1-ethoxy-9H-fluoren-2-ol
CID 174692103
1-naphthalen-1-yl-11H-benzo[a]fluorene
CID 157136460
1-(4-ethoxy-3-propan-2-ylphenyl)-9H-fluorene
CID 175394997
9-[3-(9H-fluoren-1-yl)phenyl]-10-naphthalen-1-ylanthracene
CID 143848200
1,2-dibutoxy-9H-fluorene;9H-fluorene
CID 158569964
3-ethoxy-1-naphthalen-1-ylnaphthalen-2-ol
CID 151645059
5-naphthalen-1-yl-11H-benzo[a]fluorene
CID 161363694
decacyclo[18.18.0.02,18.05,17.06,15.09,14.022,37.023,35.025,33.027,32]octatriaconta-1(20),2(18),3,5(17),6(15),7,9,11,13,21,23(35),24,27,29,31,33,37-heptadecaene
CID 160943203
1-methyl-N-naphthalen-1-yl-9H-fluoren-2-amine
CID 151967733
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
heptacyclo[14.11.1.02,14.05,13.06,11.017,22.024,28]octacosa-1(27),2(14),3,5(13),6,8,10,16(28),17,19,21,23,25-tridecaene
CID 159466514

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).