9H-fluoren-9-ylmethyl N-(3-hydroxyphenyl)carbamate

C21H17NO3 — CID 828288

IUPAC9H-fluoren-9-ylmethyl N-(3-hydroxyphenyl)carbamate
SMILESO=C(Nc1cccc(O)c1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H17NO3/c23-15-7-5-6-14(12-15)22-21(24)25-13-20-18-10-3-1-8-16(18)17-9-2-4-11-19(17)20/h1-12,20,23H,13H2,(H,22,24)
InChIKeyBAOPZRXWOAVQKO-UHFFFAOYSA-N
MW331.37 g/mol
LogP4.75
Rot. Bonds3

About 9H-fluoren-9-ylmethyl N-(3-hydroxyphenyl)carbamate

9H-fluoren-9-ylmethyl N-(3-hydroxyphenyl)carbamate (PubChem CID 828288) has the molecular formula C21H17NO3 and a molecular weight of 331.37 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-(3-hydroxyphenyl)carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-(3-hydroxyphenyl)carbamate
PubChem CID828288
Molecular FormulaC21H17NO3
Molecular Weight331.37 g/mol
Exact Mass331.12
IUPAC Name9H-fluoren-9-ylmethyl N-(3-hydroxyphenyl)carbamate
SMILESO=C(Nc1cccc(O)c1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H17NO3/c23-15-7-5-6-14(12-15)22-21(24)25-13-20-18-10-3-1-8-16(18)17-9-2-4-11-19(17)20/h1-12,20,23H,13H2,(H,22,24)
InChIKeyBAOPZRXWOAVQKO-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

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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-(3-hydroxyphenyl)carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-(3-hydroxyphenyl)carbamate (CID 828288) is 9H-fluoren-9-ylmethyl N-(3-hydroxyphenyl)carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-(3-hydroxyphenyl)carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-(3-hydroxyphenyl)carbamate is O=C(Nc1cccc(O)c1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-(3-hydroxyphenyl)carbamate?
The InChIKey is BAOPZRXWOAVQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3/c23-15-7-5-6-14(12-15)22-21(24)25-13-20-18-10-3-1-8-16(18)17-9-2-4-11-19(17)20/h1-12,20,23H,13H2,(H,22,24).
What are the key properties of 9H-fluoren-9-ylmethyl N-(3-hydroxyphenyl)carbamate?
9H-fluoren-9-ylmethyl N-(3-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-(3-hydroxyphenyl)carbamate is sourced from PubChem (CID 828288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).