9H-fluoren-9-ylmethyl oxane-2-carboxylate

C20H20O3 — CID 175742330

IUPAC9H-fluoren-9-ylmethyl oxane-2-carboxylate
SMILESO=C(OCC1c2ccccc2-c2ccccc21)C1CCCCO1
InChIInChI=1S/C20H20O3/c21-20(19-11-5-6-12-22-19)23-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18/h1-4,7-10,18-19H,5-6,11-13H2
InChIKeyWXAOYKWVLMINEZ-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.91
Rot. Bonds3

About 9H-fluoren-9-ylmethyl oxane-2-carboxylate

9H-fluoren-9-ylmethyl oxane-2-carboxylate (PubChem CID 175742330) has the molecular formula C20H20O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl oxane-2-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl oxane-2-carboxylate
PubChem CID175742330
Molecular FormulaC20H20O3
Molecular Weight308.38 g/mol
Exact Mass308.14
IUPAC Name9H-fluoren-9-ylmethyl oxane-2-carboxylate
SMILESO=C(OCC1c2ccccc2-c2ccccc21)C1CCCCO1
InChIInChI=1S/C20H20O3/c21-20(19-11-5-6-12-22-19)23-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18/h1-4,7-10,18-19H,5-6,11-13H2
InChIKeyWXAOYKWVLMINEZ-UHFFFAOYSA-N
XLogP3.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9H-fluoren-9-ylmethyl cyclohexanecarboxylate
CID 22102217
2-phenylethyl oxane-2-carboxylate
CID 151584016
4-(aminomethyl)-2-(9H-fluoren-9-ylmethoxycarbonyl)oxane-4-carboxylic acid
CID 121493858
trans-9H-fluoren-9-ylmethyl (1R,2R)-2-aminocyclohexane-1-carboxylate
CID 140639603
6-(1,3-dioxoisoindol-2-yl)hexyl (2R)-oxolane-2-carboxylate
CID 166185241
6-(1,3-dioxoisoindol-2-yl)hexyl (2S)-oxolane-2-carboxylate
CID 166190465
9H-fluoren-9-ylmethyl (2R)-2-amino-4-[[(2S)-oxan-2-yl]oxyamino]-4-oxobutanoate
CID 97106758
3-(1,3-dioxoisoindol-2-yl)propyl oxolane-2-carboxylate
CID 110495047
9H-fluoren-9-ylmethyl 2-bromoacetate
CID 86059891
9H-fluoren-9-ylmethyl carbamate;hydrochloride
CID 66959107
9H-fluoren-9-ylmethyl carbonofluoridate
CID 10131014
9H-fluoren-9-ylmethyl 3-oxoazetidine-1-carboxylate
CID 171525727

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl oxane-2-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl oxane-2-carboxylate (CID 175742330) is 9H-fluoren-9-ylmethyl oxane-2-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl oxane-2-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl oxane-2-carboxylate is O=C(OCC1c2ccccc2-c2ccccc21)C1CCCCO1.
What is the InChIKey of 9H-fluoren-9-ylmethyl oxane-2-carboxylate?
The InChIKey is WXAOYKWVLMINEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O3/c21-20(19-11-5-6-12-22-19)23-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18/h1-4,7-10,18-19H,5-6,11-13H2.
What are the key properties of 9H-fluoren-9-ylmethyl oxane-2-carboxylate?
9H-fluoren-9-ylmethyl oxane-2-carboxylate has a molecular weight of 308.38 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl oxane-2-carboxylate is sourced from PubChem (CID 175742330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).