2-[4-(9-ethyl-9H-fluoren-1-yl)phenoxy]ethanol

C23H22O2 — CID 118321734

IUPAC2-[4-(9-ethyl-9H-fluoren-1-yl)phenoxy]ethanol
SMILESCCC1c2ccccc2-c2cccc(-c3ccc(OCCO)cc3)c21
InChIInChI=1S/C23H22O2/c1-2-18-20-6-3-4-7-21(20)22-9-5-8-19(23(18)22)16-10-12-17(13-11-16)25-15-14-24/h3-13,18,24H,2,14-15H2,1H3
InChIKeyJSHHNPSHUSBJLZ-UHFFFAOYSA-N
MW330.43 g/mol
LogP5.25
Rot. Bonds5

About 2-[4-(9-ethyl-9H-fluoren-1-yl)phenoxy]ethanol

2-[4-(9-ethyl-9H-fluoren-1-yl)phenoxy]ethanol (PubChem CID 118321734) has the molecular formula C23H22O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-[4-(9-ethyl-9H-fluoren-1-yl)phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-(9-ethyl-9H-fluoren-1-yl)phenoxy]ethanol
PubChem CID118321734
Molecular FormulaC23H22O2
Molecular Weight330.43 g/mol
Exact Mass330.16
IUPAC Name2-[4-(9-ethyl-9H-fluoren-1-yl)phenoxy]ethanol
SMILESCCC1c2ccccc2-c2cccc(-c3ccc(OCCO)cc3)c21
InChIInChI=1S/C23H22O2/c1-2-18-20-6-3-4-7-21(20)22-9-5-8-19(23(18)22)16-10-12-17(13-11-16)25-15-14-24/h3-13,18,24H,2,14-15H2,1H3
InChIKeyJSHHNPSHUSBJLZ-UHFFFAOYSA-N
XLogP5.25
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.43
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[2-[4-(2-hydroxyethoxy)phenyl]-9H-fluoren-9-yl]phenoxy]ethanol
CID 172703664
3-[4-(2,3-dimethylphenyl)phenoxy]propan-1-ol
CID 94271774
CID 162335780
CID 162335780
2-phenoxyethanol;tetradecan-1-ol
CID 118450850
1,2,4,5-tetrakis[2-(4-ethoxyphenyl)phenyl]benzene
CID 59789051
4-[4-[4-(4-hydroxybutoxy)phenyl]phenoxy]butan-1-ol
CID 71340264
9-(4-ethoxyphenoxy)nonan-1-ol
CID 138493488
4-[2-(4-octoxyphenyl)phenyl]benzoic acid
CID 131719004
2-(4-propoxyphenyl)benzoic acid
CID 62802761
4-(9H-fluoren-9-yl)butan-1-ol
CID 10060129
11-[4-[4-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol
CID 15113939
2-[4-[3-[9-[3-[4-(2-hydroxyethoxy)phenyl]phenyl]fluoren-9-yl]phenyl]phenoxy]ethanol
CID 67052233

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9-ethyl-9H-fluoren-1-yl)phenoxy]ethanol?
The IUPAC name of 2-[4-(9-ethyl-9H-fluoren-1-yl)phenoxy]ethanol (CID 118321734) is 2-[4-(9-ethyl-9H-fluoren-1-yl)phenoxy]ethanol.
What is the SMILES notation for 2-[4-(9-ethyl-9H-fluoren-1-yl)phenoxy]ethanol?
The canonical SMILES for 2-[4-(9-ethyl-9H-fluoren-1-yl)phenoxy]ethanol is CCC1c2ccccc2-c2cccc(-c3ccc(OCCO)cc3)c21.
What is the InChIKey of 2-[4-(9-ethyl-9H-fluoren-1-yl)phenoxy]ethanol?
The InChIKey is JSHHNPSHUSBJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O2/c1-2-18-20-6-3-4-7-21(20)22-9-5-8-19(23(18)22)16-10-12-17(13-11-16)25-15-14-24/h3-13,18,24H,2,14-15H2,1H3.
What are the key properties of 2-[4-(9-ethyl-9H-fluoren-1-yl)phenoxy]ethanol?
2-[4-(9-ethyl-9H-fluoren-1-yl)phenoxy]ethanol has a molecular weight of 330.43 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9-ethyl-9H-fluoren-1-yl)phenoxy]ethanol is sourced from PubChem (CID 118321734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).