[4-(trifluoromethyl)phenyl]methyl N-(4-hydroxyphenyl)carbamate

C15H12F3NO3 — CID 101044688

IUPAC[4-(trifluoromethyl)phenyl]methyl N-(4-hydroxyphenyl)carbamate
SMILESO=C(Nc1ccc(O)cc1)OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H12F3NO3/c16-15(17,18)11-3-1-10(2-4-11)9-22-14(21)19-12-5-7-13(20)8-6-12/h1-8,20H,9H2,(H,19,21)
InChIKeyPJLALKAJMGCPFA-UHFFFAOYSA-N
MW311.26 g/mol
LogP4.16
Rot. Bonds3

About [4-(trifluoromethyl)phenyl]methyl N-(4-hydroxyphenyl)carbamate

[4-(trifluoromethyl)phenyl]methyl N-(4-hydroxyphenyl)carbamate (PubChem CID 101044688) has the molecular formula C15H12F3NO3 and a molecular weight of 311.26 g/mol. Its IUPAC name is [4-(trifluoromethyl)phenyl]methyl N-(4-hydroxyphenyl)carbamate.

Molecular Properties

Compound Name[4-(trifluoromethyl)phenyl]methyl N-(4-hydroxyphenyl)carbamate
PubChem CID101044688
Molecular FormulaC15H12F3NO3
Molecular Weight311.26 g/mol
Exact Mass311.08
IUPAC Name[4-(trifluoromethyl)phenyl]methyl N-(4-hydroxyphenyl)carbamate
SMILESO=C(Nc1ccc(O)cc1)OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H12F3NO3/c16-15(17,18)11-3-1-10(2-4-11)9-22-14(21)19-12-5-7-13(20)8-6-12/h1-8,20H,9H2,(H,19,21)
InChIKeyPJLALKAJMGCPFA-UHFFFAOYSA-N
XLogP4.16
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-hydroxyphenyl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 14879849
2-bromoethyl N-[4-(trifluoromethyl)phenyl]carbamate
CID 103970519
benzyl N-[3-(trifluoromethyl)phenyl]carbamate
CID 5201332
pyridin-4-ylmethyl N-(4-fluorophenyl)carbamate
CID 21001
benzyl N-[4-(trifluoromethoxy)phenyl]carbamate
CID 134102882
benzyl N-[(2S,3S)-3-methyl-1-oxo-1-[4-(trifluoromethyl)anilino]pentan-2-yl]carbamate
CID 7611160
1-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 71496036
1-[4-(2-aminoethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 154675698
benzyl N-[4-(chlorooxymethyl)phenyl]carbamate
CID 70641351
3-methyl-2-[[4-(trifluoromethyl)phenyl]methoxycarbonylamino]butanoic acid
CID 165413281
1-amino-N-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 65466760
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 4-(methoxymethyl)benzoate
CID 7588473

Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)phenyl]methyl N-(4-hydroxyphenyl)carbamate?
The IUPAC name of [4-(trifluoromethyl)phenyl]methyl N-(4-hydroxyphenyl)carbamate (CID 101044688) is [4-(trifluoromethyl)phenyl]methyl N-(4-hydroxyphenyl)carbamate.
What is the SMILES notation for [4-(trifluoromethyl)phenyl]methyl N-(4-hydroxyphenyl)carbamate?
The canonical SMILES for [4-(trifluoromethyl)phenyl]methyl N-(4-hydroxyphenyl)carbamate is O=C(Nc1ccc(O)cc1)OCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of [4-(trifluoromethyl)phenyl]methyl N-(4-hydroxyphenyl)carbamate?
The InChIKey is PJLALKAJMGCPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO3/c16-15(17,18)11-3-1-10(2-4-11)9-22-14(21)19-12-5-7-13(20)8-6-12/h1-8,20H,9H2,(H,19,21).
What are the key properties of [4-(trifluoromethyl)phenyl]methyl N-(4-hydroxyphenyl)carbamate?
[4-(trifluoromethyl)phenyl]methyl N-(4-hydroxyphenyl)carbamate has a molecular weight of 311.26 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)phenyl]methyl N-(4-hydroxyphenyl)carbamate is sourced from PubChem (CID 101044688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).