(2,5-dihydroxypyrrol-1-yl) 9H-fluoren-9-ylmethoxycarbonyl carbonate

C20H15NO7 — CID 54522503

IUPAC(2,5-dihydroxypyrrol-1-yl) 9H-fluoren-9-ylmethoxycarbonyl carbonate
SMILESO=C(OCC1c2ccccc2-c2ccccc21)OC(=O)On1c(O)ccc1O
InChIInChI=1S/C20H15NO7/c22-17-9-10-18(23)21(17)28-20(25)27-19(24)26-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-10,16,22-23H,11H2
InChIKeyYQUSXRRBRAEYST-UHFFFAOYSA-N
MW381.34 g/mol
LogP3.41
Rot. Bonds3

About (2,5-dihydroxypyrrol-1-yl) 9H-fluoren-9-ylmethoxycarbonyl carbonate

(2,5-dihydroxypyrrol-1-yl) 9H-fluoren-9-ylmethoxycarbonyl carbonate (PubChem CID 54522503) has the molecular formula C20H15NO7 and a molecular weight of 381.34 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 9H-fluoren-9-ylmethoxycarbonyl carbonate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 9H-fluoren-9-ylmethoxycarbonyl carbonate
PubChem CID54522503
Molecular FormulaC20H15NO7
Molecular Weight381.34 g/mol
Exact Mass381.08
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 9H-fluoren-9-ylmethoxycarbonyl carbonate
SMILESO=C(OCC1c2ccccc2-c2ccccc21)OC(=O)On1c(O)ccc1O
InChIInChI=1S/C20H15NO7/c22-17-9-10-18(23)21(17)28-20(25)27-19(24)26-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-10,16,22-23H,11H2
InChIKeyYQUSXRRBRAEYST-UHFFFAOYSA-N
XLogP3.41
TPSA107.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.34
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-(9H-fluoren-9-ylmethoxycarbonyloxy)-3-hydroxy-4-oxobutanoic acid
CID 175993953
4-(9H-fluoren-9-ylmethoxycarbonyloxy)but-2-enyl 9H-fluoren-9-ylmethyl carbonate
CID 6612799
9H-fluoren-9-ylmethyl 2-hydroxyethyl carbonate
CID 174872937
9H-fluoren-9-ylmethyl 2-bromoacetate
CID 86059891
9H-fluoren-9-ylmethyl carbonofluoridate
CID 10131014
9H-fluoren-9-ylmethyl carbamate;hydrochloride
CID 66959107
benzylcarbamoyl 9H-fluoren-9-ylmethyl carbonate
CID 164606401
(2,5-dihydroxypyrrol-1-yl) [2-[2-(2,2-dimethylpropoxycarbonylamino)propanoylamino]-9H-fluoren-9-yl]methyl carbonate
CID 91403818
9H-fluoren-9-ylmethyl 2-aminoacetate
CID 5185129
9H-fluoren-9-ylmethyl carbonochloridate;hydrochloride
CID 87161132
(2,5-dihydroxypyrrol-1-yl) 5-acetylsulfanyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate
CID 91211412
butyl 9H-fluoren-9-ylmethyl carbonate
CID 114289496

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 9H-fluoren-9-ylmethoxycarbonyl carbonate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 9H-fluoren-9-ylmethoxycarbonyl carbonate (CID 54522503) is (2,5-dihydroxypyrrol-1-yl) 9H-fluoren-9-ylmethoxycarbonyl carbonate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 9H-fluoren-9-ylmethoxycarbonyl carbonate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 9H-fluoren-9-ylmethoxycarbonyl carbonate is O=C(OCC1c2ccccc2-c2ccccc21)OC(=O)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 9H-fluoren-9-ylmethoxycarbonyl carbonate?
The InChIKey is YQUSXRRBRAEYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO7/c22-17-9-10-18(23)21(17)28-20(25)27-19(24)26-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-10,16,22-23H,11H2.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 9H-fluoren-9-ylmethoxycarbonyl carbonate?
(2,5-dihydroxypyrrol-1-yl) 9H-fluoren-9-ylmethoxycarbonyl carbonate has a molecular weight of 381.34 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) 9H-fluoren-9-ylmethoxycarbonyl carbonate is sourced from PubChem (CID 54522503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).