2-[2-(9H-fluoren-1-yloxy)ethyl]-2-prop-2-enoylbutanedioic acid

C22H20O6 — CID 151615577

IUPAC2-[2-(9H-fluoren-1-yloxy)ethyl]-2-prop-2-enoylbutanedioic acid
SMILESC=CC(=O)C(CCOc1cccc2c1Cc1ccccc1-2)(CC(=O)O)C(=O)O
InChIInChI=1S/C22H20O6/c1-2-19(23)22(21(26)27,13-20(24)25)10-11-28-18-9-5-8-16-15-7-4-3-6-14(15)12-17(16)18/h2-9H,1,10-13H2,(H,24,25)(H,26,27)
InChIKeyQNKQTQZXWFBKAI-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.33
Rot. Bonds9

About 2-[2-(9H-fluoren-1-yloxy)ethyl]-2-prop-2-enoylbutanedioic acid

2-[2-(9H-fluoren-1-yloxy)ethyl]-2-prop-2-enoylbutanedioic acid (PubChem CID 151615577) has the molecular formula C22H20O6 and a molecular weight of 380.40 g/mol. Its IUPAC name is 2-[2-(9H-fluoren-1-yloxy)ethyl]-2-prop-2-enoylbutanedioic acid.

Molecular Properties

Compound Name2-[2-(9H-fluoren-1-yloxy)ethyl]-2-prop-2-enoylbutanedioic acid
PubChem CID151615577
Molecular FormulaC22H20O6
Molecular Weight380.40 g/mol
Exact Mass380.13
IUPAC Name2-[2-(9H-fluoren-1-yloxy)ethyl]-2-prop-2-enoylbutanedioic acid
SMILESC=CC(=O)C(CCOc1cccc2c1Cc1ccccc1-2)(CC(=O)O)C(=O)O
InChIInChI=1S/C22H20O6/c1-2-19(23)22(21(26)27,13-20(24)25)10-11-28-18-9-5-8-16-15-7-4-3-6-14(15)12-17(16)18/h2-9H,1,10-13H2,(H,24,25)(H,26,27)
InChIKeyQNKQTQZXWFBKAI-UHFFFAOYSA-N
XLogP3.33
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(9H-fluoren-1-yloxymethoxyphosphanyl)prop-2-en-1-one
CID 151239971
1-(2-phenylethoxy)-9H-fluorene
CID 151682362
2-(9H-fluoren-1-yloxy)acetaldehyde
CID 87173259
1-(2-ethenylbut-3-enoxy)-9H-fluorene
CID 68787919
acetic acid;1-(9H-fluoren-1-yloxy)-9H-fluorene
CID 162313144
1-(9H-fluoren-1-yl)prop-2-en-1-one;styrene
CID 162095077
1-ethyl-9H-fluorene;prop-2-enoic acid
CID 175512160
4-oxo-4-[2-[(2-prop-2-enoyl-9H-fluoren-1-yl)oxy]ethoxy]butanoic acid
CID 152629912
9H-fluoren-1-yl carbonochloridate
CID 57317054
4-[2-(9H-fluoren-1-yl)phenoxy]butan-1-ol
CID 151570912
bis(9H-fluorene);bis(prop-2-enoic acid)
CID 175756220
9H-fluorene;bis(prop-2-enoic acid)
CID 159231151

Frequently Asked Questions

What is the IUPAC name of 2-[2-(9H-fluoren-1-yloxy)ethyl]-2-prop-2-enoylbutanedioic acid?
The IUPAC name of 2-[2-(9H-fluoren-1-yloxy)ethyl]-2-prop-2-enoylbutanedioic acid (CID 151615577) is 2-[2-(9H-fluoren-1-yloxy)ethyl]-2-prop-2-enoylbutanedioic acid.
What is the SMILES notation for 2-[2-(9H-fluoren-1-yloxy)ethyl]-2-prop-2-enoylbutanedioic acid?
The canonical SMILES for 2-[2-(9H-fluoren-1-yloxy)ethyl]-2-prop-2-enoylbutanedioic acid is C=CC(=O)C(CCOc1cccc2c1Cc1ccccc1-2)(CC(=O)O)C(=O)O.
What is the InChIKey of 2-[2-(9H-fluoren-1-yloxy)ethyl]-2-prop-2-enoylbutanedioic acid?
The InChIKey is QNKQTQZXWFBKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O6/c1-2-19(23)22(21(26)27,13-20(24)25)10-11-28-18-9-5-8-16-15-7-4-3-6-14(15)12-17(16)18/h2-9H,1,10-13H2,(H,24,25)(H,26,27).
What are the key properties of 2-[2-(9H-fluoren-1-yloxy)ethyl]-2-prop-2-enoylbutanedioic acid?
2-[2-(9H-fluoren-1-yloxy)ethyl]-2-prop-2-enoylbutanedioic acid has a molecular weight of 380.40 g/mol, XLogP of 3.33, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(9H-fluoren-1-yloxy)ethyl]-2-prop-2-enoylbutanedioic acid is sourced from PubChem (CID 151615577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).