9H-fluoren-9-ylmethyl N-[4-(hydroxymethyl)phenyl]carbamate

C22H19NO3 — CID 64795261

IUPAC9H-fluoren-9-ylmethyl N-[4-(hydroxymethyl)phenyl]carbamate
SMILESO=C(Nc1ccc(CO)cc1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H19NO3/c24-13-15-9-11-16(12-10-15)23-22(25)26-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21,24H,13-14H2,(H,23,25)
InChIKeyAMCNVVZGRKIDRW-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.54
Rot. Bonds4

About 9H-fluoren-9-ylmethyl N-[4-(hydroxymethyl)phenyl]carbamate

9H-fluoren-9-ylmethyl N-[4-(hydroxymethyl)phenyl]carbamate (PubChem CID 64795261) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[4-(hydroxymethyl)phenyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[4-(hydroxymethyl)phenyl]carbamate
PubChem CID64795261
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Name9H-fluoren-9-ylmethyl N-[4-(hydroxymethyl)phenyl]carbamate
SMILESO=C(Nc1ccc(CO)cc1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H19NO3/c24-13-15-9-11-16(12-10-15)23-22(25)26-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21,24H,13-14H2,(H,23,25)
InChIKeyAMCNVVZGRKIDRW-UHFFFAOYSA-N
XLogP4.54
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[4-(hydroxymethyl)phenyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[4-(hydroxymethyl)phenyl]carbamate (CID 64795261) is 9H-fluoren-9-ylmethyl N-[4-(hydroxymethyl)phenyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[4-(hydroxymethyl)phenyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[4-(hydroxymethyl)phenyl]carbamate is O=C(Nc1ccc(CO)cc1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[4-(hydroxymethyl)phenyl]carbamate?
The InChIKey is AMCNVVZGRKIDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3/c24-13-15-9-11-16(12-10-15)23-22(25)26-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21,24H,13-14H2,(H,23,25).
What are the key properties of 9H-fluoren-9-ylmethyl N-[4-(hydroxymethyl)phenyl]carbamate?
9H-fluoren-9-ylmethyl N-[4-(hydroxymethyl)phenyl]carbamate has a molecular weight of 345.40 g/mol, XLogP of 4.54, 4 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-[4-(hydroxymethyl)phenyl]carbamate is sourced from PubChem (CID 64795261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).