9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butyl]carbamate

C29H33NO5 — CID 171887228

About 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butyl]carbamate

9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butyl]carbamate (PubChem CID 171887228) has the molecular formula C29H33NO5 and a molecular weight of 475.59 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butyl]carbamate.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butyl]carbamate
• PubChem CID: 171887228
• Molecular Formula: C29H33NO5
• Molecular Weight: 475.59 g/mol
• Exact Mass: 475.24
• IUPAC Name: 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butyl]carbamate
• SMILES: CC(C)(C)Oc1ccc(C(O)C(O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)cc1
• InChI: InChI=1S/C29H33NO5/c1-29(2,3)35-20-14-12-19(13-15-20)27(32)26(31)16-17-30-28(33)34-18-25-23-10-6-4-8-21(23)22-9-5-7-11-24(22)25/h4-15,25-27,31-32H,16-18H2,1-3H3,(H,30,33)
• InChIKey: VJFCRNAQMRJIDF-UHFFFAOYSA-N
• XLogP: 5.19
• TPSA: 88.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.59
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butyl]carbamate?

The IUPAC name of 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butyl]carbamate (CID 171887228) is 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butyl]carbamate.

What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butyl]carbamate?

The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butyl]carbamate is CC(C)(C)Oc1ccc(C(O)C(O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)cc1.

What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butyl]carbamate?

The InChIKey is VJFCRNAQMRJIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33NO5/c1-29(2,3)35-20-14-12-19(13-15-20)27(32)26(31)16-17-30-28(33)34-18-25-23-10-6-4-8-21(23)22-9-5-7-11-24(22)25/h4-15,25-27,31-32H,16-18H2,1-3H3,(H,30,33).

What are the key properties of 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butyl]carbamate?

9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butyl]carbamate has a molecular weight of 475.59 g/mol, XLogP of 5.19, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butyl]carbamate is sourced from PubChem (CID 171887228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).