9H-fluoren-9-ylmethyl N-[3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enyl]carbamate

C32H37NO3 — CID 169470711

About 9H-fluoren-9-ylmethyl N-[3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enyl]carbamate

9H-fluoren-9-ylmethyl N-[3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enyl]carbamate (PubChem CID 169470711) has the molecular formula C32H37NO3 and a molecular weight of 483.65 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enyl]carbamate.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl N-[3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enyl]carbamate
• PubChem CID: 169470711
• Molecular Formula: C32H37NO3
• Molecular Weight: 483.65 g/mol
• Exact Mass: 483.28
• IUPAC Name: 9H-fluoren-9-ylmethyl N-[3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enyl]carbamate
• SMILES: CC(C)(C)c1cc(C=CCNC(=O)OCC2c3ccccc3-c3ccccc32)cc(C(C)(C)C)c1O
• InChI: InChI=1S/C32H37NO3/c1-31(2,3)27-18-21(19-28(29(27)34)32(4,5)6)12-11-17-33-30(35)36-20-26-24-15-9-7-13-22(24)23-14-8-10-16-25(23)26/h7-16,18-19,26,34H,17,20H2,1-6H3,(H,33,35)
• InChIKey: DGFBVFILMPLMNM-UHFFFAOYSA-N
• XLogP: 7.54
• TPSA: 58.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.65
LogP ≤ 5	7.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enyl]carbamate?

The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enyl]carbamate (CID 169470711) is 9H-fluoren-9-ylmethyl N-[3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enyl]carbamate.

What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enyl]carbamate?

The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enyl]carbamate is CC(C)(C)c1cc(C=CCNC(=O)OCC2c3ccccc3-c3ccccc32)cc(C(C)(C)C)c1O.

What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enyl]carbamate?

The InChIKey is DGFBVFILMPLMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37NO3/c1-31(2,3)27-18-21(19-28(29(27)34)32(4,5)6)12-11-17-33-30(35)36-20-26-24-15-9-7-13-22(24)23-14-8-10-16-25(23)26/h7-16,18-19,26,34H,17,20H2,1-6H3,(H,33,35).

What are the key properties of 9H-fluoren-9-ylmethyl N-[3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enyl]carbamate?

9H-fluoren-9-ylmethyl N-[3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enyl]carbamate has a molecular weight of 483.65 g/mol, XLogP of 7.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-ylmethyl N-[3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enyl]carbamate is sourced from PubChem (CID 169470711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).