4-oxo-4-[2-[(2-prop-2-enoyl-9H-fluoren-1-yl)oxy]ethoxy]butanoic acid

C22H20O6 — CID 152629912

IUPAC4-oxo-4-[2-[(2-prop-2-enoyl-9H-fluoren-1-yl)oxy]ethoxy]butanoic acid
SMILESC=CC(=O)c1ccc2c(c1OCCOC(=O)CCC(=O)O)Cc1ccccc1-2
InChIInChI=1S/C22H20O6/c1-2-19(23)17-8-7-16-15-6-4-3-5-14(15)13-18(16)22(17)28-12-11-27-21(26)10-9-20(24)25/h2-8H,1,9-13H2,(H,24,25)
InChIKeyZDHQAIUDDTWPLE-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.41
Rot. Bonds9

About 4-oxo-4-[2-[(2-prop-2-enoyl-9H-fluoren-1-yl)oxy]ethoxy]butanoic acid

4-oxo-4-[2-[(2-prop-2-enoyl-9H-fluoren-1-yl)oxy]ethoxy]butanoic acid (PubChem CID 152629912) has the molecular formula C22H20O6 and a molecular weight of 380.40 g/mol. Its IUPAC name is 4-oxo-4-[2-[(2-prop-2-enoyl-9H-fluoren-1-yl)oxy]ethoxy]butanoic acid.

Molecular Properties

Compound Name4-oxo-4-[2-[(2-prop-2-enoyl-9H-fluoren-1-yl)oxy]ethoxy]butanoic acid
PubChem CID152629912
Molecular FormulaC22H20O6
Molecular Weight380.40 g/mol
Exact Mass380.13
IUPAC Name4-oxo-4-[2-[(2-prop-2-enoyl-9H-fluoren-1-yl)oxy]ethoxy]butanoic acid
SMILESC=CC(=O)c1ccc2c(c1OCCOC(=O)CCC(=O)O)Cc1ccccc1-2
InChIInChI=1S/C22H20O6/c1-2-19(23)17-8-7-16-15-6-4-3-5-14(15)13-18(16)22(17)28-12-11-27-21(26)10-9-20(24)25/h2-8H,1,9-13H2,(H,24,25)
InChIKeyZDHQAIUDDTWPLE-UHFFFAOYSA-N
XLogP3.41
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[3-(9H-fluoren-1-yl)propanoyloxy]ethyl 3-(9H-fluoren-1-yl)propanoate
CID 160987584
1-(9H-fluoren-1-yl)prop-2-en-1-one;styrene
CID 162095077
(1-prop-2-enoyloxy-9H-fluoren-2-yl) prop-2-enoate
CID 135397828
2-[2-(9H-fluoren-1-yloxy)ethyl]-2-prop-2-enoylbutanedioic acid
CID 151615577
bis(9H-fluorene);bis(prop-2-enoic acid)
CID 175756220
9H-fluorene;bis(prop-2-enoic acid)
CID 159231151
[2-[2-(dimethylamino)ethyl]-9H-fluoren-1-yl] prop-2-enoate
CID 151882204
1-ethyl-9H-fluorene;prop-2-enoic acid
CID 175512160
1-[2-[9H-fluoren-1-yl(methoxy)phosphoryl]phenyl]prop-2-en-1-one
CID 152566854
2-(9H-fluoren-1-yl)-5-phenoxypent-2-enoic acid
CID 150361087
1-(3-hydroxypropyl)-9H-fluorene-2-carboxylic acid
CID 141108943
1-(1-amino-9H-fluoren-2-yl)ethanone
CID 67094214

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-[2-[(2-prop-2-enoyl-9H-fluoren-1-yl)oxy]ethoxy]butanoic acid?
The IUPAC name of 4-oxo-4-[2-[(2-prop-2-enoyl-9H-fluoren-1-yl)oxy]ethoxy]butanoic acid (CID 152629912) is 4-oxo-4-[2-[(2-prop-2-enoyl-9H-fluoren-1-yl)oxy]ethoxy]butanoic acid.
What is the SMILES notation for 4-oxo-4-[2-[(2-prop-2-enoyl-9H-fluoren-1-yl)oxy]ethoxy]butanoic acid?
The canonical SMILES for 4-oxo-4-[2-[(2-prop-2-enoyl-9H-fluoren-1-yl)oxy]ethoxy]butanoic acid is C=CC(=O)c1ccc2c(c1OCCOC(=O)CCC(=O)O)Cc1ccccc1-2.
What is the InChIKey of 4-oxo-4-[2-[(2-prop-2-enoyl-9H-fluoren-1-yl)oxy]ethoxy]butanoic acid?
The InChIKey is ZDHQAIUDDTWPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O6/c1-2-19(23)17-8-7-16-15-6-4-3-5-14(15)13-18(16)22(17)28-12-11-27-21(26)10-9-20(24)25/h2-8H,1,9-13H2,(H,24,25).
What are the key properties of 4-oxo-4-[2-[(2-prop-2-enoyl-9H-fluoren-1-yl)oxy]ethoxy]butanoic acid?
4-oxo-4-[2-[(2-prop-2-enoyl-9H-fluoren-1-yl)oxy]ethoxy]butanoic acid has a molecular weight of 380.40 g/mol, XLogP of 3.41, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-[2-[(2-prop-2-enoyl-9H-fluoren-1-yl)oxy]ethoxy]butanoic acid is sourced from PubChem (CID 152629912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).