tert-butyl 5-(2-fluorophenyl)-2-hydroxybenzoate

C17H17FO3 — CID 174729954

IUPACtert-butyl 5-(2-fluorophenyl)-2-hydroxybenzoate
SMILESCC(C)(C)OC(=O)c1cc(-c2ccccc2F)ccc1O
InChIInChI=1S/C17H17FO3/c1-17(2,3)21-16(20)13-10-11(8-9-15(13)19)12-6-4-5-7-14(12)18/h4-10,19H,1-3H3
InChIKeyFBWMZMAEDUMDJK-UHFFFAOYSA-N
MW288.32 g/mol
LogP4.15
Rot. Bonds2

About tert-butyl 5-(2-fluorophenyl)-2-hydroxybenzoate

tert-butyl 5-(2-fluorophenyl)-2-hydroxybenzoate (PubChem CID 174729954) has the molecular formula C17H17FO3 and a molecular weight of 288.32 g/mol. Its IUPAC name is tert-butyl 5-(2-fluorophenyl)-2-hydroxybenzoate.

Molecular Properties

Compound Nametert-butyl 5-(2-fluorophenyl)-2-hydroxybenzoate
PubChem CID174729954
Molecular FormulaC17H17FO3
Molecular Weight288.32 g/mol
Exact Mass288.12
IUPAC Nametert-butyl 5-(2-fluorophenyl)-2-hydroxybenzoate
SMILESCC(C)(C)OC(=O)c1cc(-c2ccccc2F)ccc1O
InChIInChI=1S/C17H17FO3/c1-17(2,3)21-16(20)13-10-11(8-9-15(13)19)12-6-4-5-7-14(12)18/h4-10,19H,1-3H3
InChIKeyFBWMZMAEDUMDJK-UHFFFAOYSA-N
XLogP4.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[[2-fluoro-5-(2-fluorophenyl)benzoyl]amino]ethyl]carbamate
CID 129048291
CID 71111006
CID 71111006
tert-butyl 2-hydroxybenzoate;cobalt
CID 70348779
tert-butyl 4-(2-fluorophenyl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoate
CID 58508706
methyl 2-amino-5-(2-fluorophenyl)benzoate
CID 82572889
tert-butyl 3-fluoronaphthalene-2-carboxylate
CID 133061227
4-(2-fluorophenyl)phthalic acid
CID 71119653
tert-butyl N-[(2S)-1-[2-[[2-fluoro-5-(2-fluorophenyl)benzoyl]amino]ethylamino]-1-oxopropan-2-yl]carbamate
CID 129047852
1-[5-(2,4-difluorophenyl)-2-hydroxyphenyl]-2,2-dimethylpropan-1-one
CID 58554662
methyl 2-chloro-4-(2-fluorophenyl)benzoate
CID 75488279
tert-butyl 4-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]benzoate
CID 173271816
tert-butyl 2-amino-3-(4-hydroxy-3-nitrophenyl)benzoate
CID 135741492

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-(2-fluorophenyl)-2-hydroxybenzoate?
The IUPAC name of tert-butyl 5-(2-fluorophenyl)-2-hydroxybenzoate (CID 174729954) is tert-butyl 5-(2-fluorophenyl)-2-hydroxybenzoate.
What is the SMILES notation for tert-butyl 5-(2-fluorophenyl)-2-hydroxybenzoate?
The canonical SMILES for tert-butyl 5-(2-fluorophenyl)-2-hydroxybenzoate is CC(C)(C)OC(=O)c1cc(-c2ccccc2F)ccc1O.
What is the InChIKey of tert-butyl 5-(2-fluorophenyl)-2-hydroxybenzoate?
The InChIKey is FBWMZMAEDUMDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO3/c1-17(2,3)21-16(20)13-10-11(8-9-15(13)19)12-6-4-5-7-14(12)18/h4-10,19H,1-3H3.
What are the key properties of tert-butyl 5-(2-fluorophenyl)-2-hydroxybenzoate?
tert-butyl 5-(2-fluorophenyl)-2-hydroxybenzoate has a molecular weight of 288.32 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-(2-fluorophenyl)-2-hydroxybenzoate is sourced from PubChem (CID 174729954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).