tert-butyl N-[9-(hydroxymethyl)-9H-fluoren-2-yl]carbamate

C19H21NO3 — CID 11151078

IUPACtert-butyl N-[9-(hydroxymethyl)-9H-fluoren-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc2c(c1)C(CO)c1ccccc1-2
InChIInChI=1S/C19H21NO3/c1-19(2,3)23-18(22)20-12-8-9-15-13-6-4-5-7-14(13)17(11-21)16(15)10-12/h4-10,17,21H,11H2,1-3H3,(H,20,22)
InChIKeyCNBJGFZEJYGYLZ-UHFFFAOYSA-N
MW311.38 g/mol
LogP4.14
Rot. Bonds2

About tert-butyl N-[9-(hydroxymethyl)-9H-fluoren-2-yl]carbamate

tert-butyl N-[9-(hydroxymethyl)-9H-fluoren-2-yl]carbamate (PubChem CID 11151078) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is tert-butyl N-[9-(hydroxymethyl)-9H-fluoren-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[9-(hydroxymethyl)-9H-fluoren-2-yl]carbamate
PubChem CID11151078
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Nametert-butyl N-[9-(hydroxymethyl)-9H-fluoren-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc2c(c1)C(CO)c1ccccc1-2
InChIInChI=1S/C19H21NO3/c1-19(2,3)23-18(22)20-12-8-9-15-13-6-4-5-7-14(13)17(11-21)16(15)10-12/h4-10,17,21H,11H2,1-3H3,(H,20,22)
InChIKeyCNBJGFZEJYGYLZ-UHFFFAOYSA-N
XLogP4.14
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(8a-hydroxy-8,9-dihydrofluoren-2-yl)acetamide
CID 154700124
9H-fluoren-9-ylmethyl N-(4-selenocyanatophenyl)carbamate
CID 118729597
(9H-fluoren-9-yl)methyl N-[2-(hydroxymethyl)phenyl]carbamate
CID 63310501
3-[4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)phenyl]propanoic acid
CID 2755932
2-(4-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)phenyl)acetic acid
CID 2756084
2-(3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)phenyl)acetic acid
CID 17040110
(9H-Fluoren-9-yl)methyl (4-(hydroxymethyl)phenyl)carbamate
CID 64795261
2,7-di(Boc-amino)fluorene
CID 66910020
methyl N-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]carbamate
CID 59492907
Ethyl 9h-fluoren-2-ylcarbamate
CID 232970
Carbamic acid, N-(4-cyanophenyl)-, 9H-fluoren-9-ylmethyl ester
CID 73996050
2-{[4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)phenyl]methyl}butanoic acid
CID 137963744

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[9-(hydroxymethyl)-9H-fluoren-2-yl]carbamate?
The IUPAC name of tert-butyl N-[9-(hydroxymethyl)-9H-fluoren-2-yl]carbamate (CID 11151078) is tert-butyl N-[9-(hydroxymethyl)-9H-fluoren-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[9-(hydroxymethyl)-9H-fluoren-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[9-(hydroxymethyl)-9H-fluoren-2-yl]carbamate is CC(C)(C)OC(=O)Nc1ccc2c(c1)C(CO)c1ccccc1-2.
What is the InChIKey of tert-butyl N-[9-(hydroxymethyl)-9H-fluoren-2-yl]carbamate?
The InChIKey is CNBJGFZEJYGYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-19(2,3)23-18(22)20-12-8-9-15-13-6-4-5-7-14(13)17(11-21)16(15)10-12/h4-10,17,21H,11H2,1-3H3,(H,20,22).
What are the key properties of tert-butyl N-[9-(hydroxymethyl)-9H-fluoren-2-yl]carbamate?
tert-butyl N-[9-(hydroxymethyl)-9H-fluoren-2-yl]carbamate has a molecular weight of 311.38 g/mol, XLogP of 4.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[9-(hydroxymethyl)-9H-fluoren-2-yl]carbamate is sourced from PubChem (CID 11151078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).