2-[2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]-9H-fluoren-1-yl]acetic acid

C27H36O5 — CID 158494122

IUPAC2-[2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]-9H-fluoren-1-yl]acetic acid
SMILESCCCCC(CC)COCCOCCOc1ccc2c(c1CC(=O)O)Cc1ccccc1-2
InChIInChI=1S/C27H36O5/c1-3-5-8-20(4-2)19-31-14-13-30-15-16-32-26-12-11-23-22-10-7-6-9-21(22)17-24(23)25(26)18-27(28)29/h6-7,9-12,20H,3-5,8,13-19H2,1-2H3,(H,28,29)
InChIKeyPIISCYCVAINZBJ-UHFFFAOYSA-N
MW440.58 g/mol
LogP5.51
Rot. Bonds15

About 2-[2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]-9H-fluoren-1-yl]acetic acid

2-[2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]-9H-fluoren-1-yl]acetic acid (PubChem CID 158494122) has the molecular formula C27H36O5 and a molecular weight of 440.58 g/mol. Its IUPAC name is 2-[2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]-9H-fluoren-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]-9H-fluoren-1-yl]acetic acid
PubChem CID158494122
Molecular FormulaC27H36O5
Molecular Weight440.58 g/mol
Exact Mass440.26
IUPAC Name2-[2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]-9H-fluoren-1-yl]acetic acid
SMILESCCCCC(CC)COCCOCCOc1ccc2c(c1CC(=O)O)Cc1ccccc1-2
InChIInChI=1S/C27H36O5/c1-3-5-8-20(4-2)19-31-14-13-30-15-16-32-26-12-11-23-22-10-7-6-9-21(22)17-24(23)25(26)18-27(28)29/h6-7,9-12,20H,3-5,8,13-19H2,1-2H3,(H,28,29)
InChIKeyPIISCYCVAINZBJ-UHFFFAOYSA-N
XLogP5.51
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.58
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethylhexoxy)acetic acid
CID 11651287
9H-fluoren-1-ylmethyl 2-chlorohexanoate
CID 175075714
2-[2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate
CID 156631959
2,4-bis[2-[2-(2-ethylhexoxy)ethoxy]ethyl]benzene-1,3-dicarboxylic acid
CID 121375739
4-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]benzenesulfonic acid
CID 90129308
1,2-diethyl-9H-fluorene
CID 23440471
2-[2-[2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 86129872
1,2-dihexyl-9H-fluorene
CID 22141601
4-[2-(2-ethylhexoxy)ethoxy]aniline
CID 43366167
2-amino-6-(2-ethylhexoxymethyl)benzoic acid
CID 104825406
2-(2-ethylhexoxy)ethyl 3-methylbenzenecarboperoxoate
CID 173267241
2-[2-(2-ethylhexoxy)ethoxy]ethyl 2-methylbutanoate
CID 88869563

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]-9H-fluoren-1-yl]acetic acid?
The IUPAC name of 2-[2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]-9H-fluoren-1-yl]acetic acid (CID 158494122) is 2-[2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]-9H-fluoren-1-yl]acetic acid.
What is the SMILES notation for 2-[2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]-9H-fluoren-1-yl]acetic acid?
The canonical SMILES for 2-[2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]-9H-fluoren-1-yl]acetic acid is CCCCC(CC)COCCOCCOc1ccc2c(c1CC(=O)O)Cc1ccccc1-2.
What is the InChIKey of 2-[2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]-9H-fluoren-1-yl]acetic acid?
The InChIKey is PIISCYCVAINZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36O5/c1-3-5-8-20(4-2)19-31-14-13-30-15-16-32-26-12-11-23-22-10-7-6-9-21(22)17-24(23)25(26)18-27(28)29/h6-7,9-12,20H,3-5,8,13-19H2,1-2H3,(H,28,29).
What are the key properties of 2-[2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]-9H-fluoren-1-yl]acetic acid?
2-[2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]-9H-fluoren-1-yl]acetic acid has a molecular weight of 440.58 g/mol, XLogP of 5.51, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]-9H-fluoren-1-yl]acetic acid is sourced from PubChem (CID 158494122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).