9H-fluoren-9-ylmethyl N-[3-(5-cyano-2-hydroxy-3-methoxyphenyl)-2,3-dihydroxypropyl]carbamate

C26H24N2O6 — CID 170834855

About 9H-fluoren-9-ylmethyl N-[3-(5-cyano-2-hydroxy-3-methoxyphenyl)-2,3-dihydroxypropyl]carbamate

9H-fluoren-9-ylmethyl N-[3-(5-cyano-2-hydroxy-3-methoxyphenyl)-2,3-dihydroxypropyl]carbamate (PubChem CID 170834855) has the molecular formula C26H24N2O6 and a molecular weight of 460.49 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(5-cyano-2-hydroxy-3-methoxyphenyl)-2,3-dihydroxypropyl]carbamate.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl N-[3-(5-cyano-2-hydroxy-3-methoxyphenyl)-2,3-dihydroxypropyl]carbamate
• PubChem CID: 170834855
• Molecular Formula: C26H24N2O6
• Molecular Weight: 460.49 g/mol
• Exact Mass: 460.16
• IUPAC Name: 9H-fluoren-9-ylmethyl N-[3-(5-cyano-2-hydroxy-3-methoxyphenyl)-2,3-dihydroxypropyl]carbamate
• SMILES: COc1cc(C#N)cc(C(O)C(O)CNC(=O)OCC2c3ccccc3-c3ccccc32)c1O
• InChI: InChI=1S/C26H24N2O6/c1-33-23-11-15(12-27)10-20(25(23)31)24(30)22(29)13-28-26(32)34-14-21-18-8-4-2-6-16(18)17-7-3-5-9-19(17)21/h2-11,21-22,24,29-31H,13-14H2,1H3,(H,28,32)
• InChIKey: GAQGSCIQSBZDFT-UHFFFAOYSA-N
• XLogP: 3.21
• TPSA: 132.04 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.49
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(5-cyano-2-hydroxy-3-methoxyphenyl)-2,3-dihydroxypropyl]carbamate?

The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(5-cyano-2-hydroxy-3-methoxyphenyl)-2,3-dihydroxypropyl]carbamate (CID 170834855) is 9H-fluoren-9-ylmethyl N-[3-(5-cyano-2-hydroxy-3-methoxyphenyl)-2,3-dihydroxypropyl]carbamate.

What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(5-cyano-2-hydroxy-3-methoxyphenyl)-2,3-dihydroxypropyl]carbamate?

The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(5-cyano-2-hydroxy-3-methoxyphenyl)-2,3-dihydroxypropyl]carbamate is COc1cc(C#N)cc(C(O)C(O)CNC(=O)OCC2c3ccccc3-c3ccccc32)c1O.

What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(5-cyano-2-hydroxy-3-methoxyphenyl)-2,3-dihydroxypropyl]carbamate?

The InChIKey is GAQGSCIQSBZDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O6/c1-33-23-11-15(12-27)10-20(25(23)31)24(30)22(29)13-28-26(32)34-14-21-18-8-4-2-6-16(18)17-7-3-5-9-19(17)21/h2-11,21-22,24,29-31H,13-14H2,1H3,(H,28,32).

What are the key properties of 9H-fluoren-9-ylmethyl N-[3-(5-cyano-2-hydroxy-3-methoxyphenyl)-2,3-dihydroxypropyl]carbamate?

9H-fluoren-9-ylmethyl N-[3-(5-cyano-2-hydroxy-3-methoxyphenyl)-2,3-dihydroxypropyl]carbamate has a molecular weight of 460.49 g/mol, XLogP of 3.21, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-ylmethyl N-[3-(5-cyano-2-hydroxy-3-methoxyphenyl)-2,3-dihydroxypropyl]carbamate is sourced from PubChem (CID 170834855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).