tert-butyl N-[3-(3-fluoro-4-hydroxyphenyl)phenyl]carbamate

C17H18FNO3 — CID 53219774

IUPACtert-butyl N-[3-(3-fluoro-4-hydroxyphenyl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(-c2ccc(O)c(F)c2)c1
InChIInChI=1S/C17H18FNO3/c1-17(2,3)22-16(21)19-13-6-4-5-11(9-13)12-7-8-15(20)14(18)10-12/h4-10,20H,1-3H3,(H,19,21)
InChIKeyFQSWETLKHIBMOX-UHFFFAOYSA-N
MW303.33 g/mol
LogP4.55
Rot. Bonds2

About tert-butyl N-[3-(3-fluoro-4-hydroxyphenyl)phenyl]carbamate

tert-butyl N-[3-(3-fluoro-4-hydroxyphenyl)phenyl]carbamate (PubChem CID 53219774) has the molecular formula C17H18FNO3 and a molecular weight of 303.33 g/mol. Its IUPAC name is tert-butyl N-[3-(3-fluoro-4-hydroxyphenyl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(3-fluoro-4-hydroxyphenyl)phenyl]carbamate
PubChem CID53219774
Molecular FormulaC17H18FNO3
Molecular Weight303.33 g/mol
Exact Mass303.13
IUPAC Nametert-butyl N-[3-(3-fluoro-4-hydroxyphenyl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(-c2ccc(O)c(F)c2)c1
InChIInChI=1S/C17H18FNO3/c1-17(2,3)22-16(21)19-13-6-4-5-11(9-13)12-7-8-15(20)14(18)10-12/h4-10,20H,1-3H3,(H,19,21)
InChIKeyFQSWETLKHIBMOX-UHFFFAOYSA-N
XLogP4.55
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-(3-fluoro-5-hydroxyphenyl)phenyl]carbamate
CID 53219777
4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]benzoic acid
CID 53218486
tert-butyl N-[3-[4-(aminomethyl)phenyl]phenyl]carbamate
CID 59206790
tert-butyl N-(3-thiophen-3-ylphenyl)carbamate
CID 7176355
methyl N-(3-fluoro-4-hydroxyphenyl)carbamate
CID 64780328
tert-butyl N-(3-sulfanylphenyl)carbamate
CID 11436060
tert-butyl N-(3-pyridin-2-ylphenyl)carbamate
CID 53419021
potassium trifluoro-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]boranuide
CID 171374143
trifluoro-[2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boranuide
CID 86810523
tert-butyl N-[3-[(1S)-1-amino-2,2,2-trifluoroethyl]phenyl]carbamate
CID 66511950
2-methyl-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]benzoic acid
CID 53228867
tert-butyl N-(3-acetyl-4-hydroxyphenyl)carbamate
CID 18782933

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(3-fluoro-4-hydroxyphenyl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-(3-fluoro-4-hydroxyphenyl)phenyl]carbamate (CID 53219774) is tert-butyl N-[3-(3-fluoro-4-hydroxyphenyl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(3-fluoro-4-hydroxyphenyl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(3-fluoro-4-hydroxyphenyl)phenyl]carbamate is CC(C)(C)OC(=O)Nc1cccc(-c2ccc(O)c(F)c2)c1.
What is the InChIKey of tert-butyl N-[3-(3-fluoro-4-hydroxyphenyl)phenyl]carbamate?
The InChIKey is FQSWETLKHIBMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3/c1-17(2,3)22-16(21)19-13-6-4-5-11(9-13)12-7-8-15(20)14(18)10-12/h4-10,20H,1-3H3,(H,19,21).
What are the key properties of tert-butyl N-[3-(3-fluoro-4-hydroxyphenyl)phenyl]carbamate?
tert-butyl N-[3-(3-fluoro-4-hydroxyphenyl)phenyl]carbamate has a molecular weight of 303.33 g/mol, XLogP of 4.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(3-fluoro-4-hydroxyphenyl)phenyl]carbamate is sourced from PubChem (CID 53219774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).