9H-fluoren-9-ylmethyl N-(2-hydroxyphenyl)carbamate

C21H17NO3 — CID 51340615

IUPAC9H-fluoren-9-ylmethyl N-(2-hydroxyphenyl)carbamate
SMILESO=C(Nc1ccccc1O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H17NO3/c23-20-12-6-5-11-19(20)22-21(24)25-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18/h1-12,18,23H,13H2,(H,22,24)
InChIKeyWYHCGXXOVZRLGB-UHFFFAOYSA-N
MW331.37 g/mol
LogP4.75
Rot. Bonds3

About 9H-fluoren-9-ylmethyl N-(2-hydroxyphenyl)carbamate

9H-fluoren-9-ylmethyl N-(2-hydroxyphenyl)carbamate (PubChem CID 51340615) has the molecular formula C21H17NO3 and a molecular weight of 331.37 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-(2-hydroxyphenyl)carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-(2-hydroxyphenyl)carbamate
PubChem CID51340615
Molecular FormulaC21H17NO3
Molecular Weight331.37 g/mol
Exact Mass331.12
IUPAC Name9H-fluoren-9-ylmethyl N-(2-hydroxyphenyl)carbamate
SMILESO=C(Nc1ccccc1O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H17NO3/c23-20-12-6-5-11-19(20)22-21(24)25-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18/h1-12,18,23H,13H2,(H,22,24)
InChIKeyWYHCGXXOVZRLGB-UHFFFAOYSA-N
XLogP4.75
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-(2-hydroxyphenyl)carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-(2-hydroxyphenyl)carbamate (CID 51340615) is 9H-fluoren-9-ylmethyl N-(2-hydroxyphenyl)carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-(2-hydroxyphenyl)carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-(2-hydroxyphenyl)carbamate is O=C(Nc1ccccc1O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-(2-hydroxyphenyl)carbamate?
The InChIKey is WYHCGXXOVZRLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3/c23-20-12-6-5-11-19(20)22-21(24)25-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18/h1-12,18,23H,13H2,(H,22,24).
What are the key properties of 9H-fluoren-9-ylmethyl N-(2-hydroxyphenyl)carbamate?
9H-fluoren-9-ylmethyl N-(2-hydroxyphenyl)carbamate has a molecular weight of 331.37 g/mol, XLogP of 4.75, 3 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-(2-hydroxyphenyl)carbamate is sourced from PubChem (CID 51340615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).