tert-butyl 3-(3-fluorophenyl)-5-hydroxybenzoate

C17H17FO3 — CID 67339884

IUPACtert-butyl 3-(3-fluorophenyl)-5-hydroxybenzoate
SMILESCC(C)(C)OC(=O)c1cc(O)cc(-c2cccc(F)c2)c1
InChIInChI=1S/C17H17FO3/c1-17(2,3)21-16(20)13-7-12(9-15(19)10-13)11-5-4-6-14(18)8-11/h4-10,19H,1-3H3
InChIKeyKMBXKXSCZIQMLE-UHFFFAOYSA-N
MW288.32 g/mol
LogP4.15
Rot. Bonds2

About tert-butyl 3-(3-fluorophenyl)-5-hydroxybenzoate

tert-butyl 3-(3-fluorophenyl)-5-hydroxybenzoate (PubChem CID 67339884) has the molecular formula C17H17FO3 and a molecular weight of 288.32 g/mol. Its IUPAC name is tert-butyl 3-(3-fluorophenyl)-5-hydroxybenzoate.

Molecular Properties

Compound Nametert-butyl 3-(3-fluorophenyl)-5-hydroxybenzoate
PubChem CID67339884
Molecular FormulaC17H17FO3
Molecular Weight288.32 g/mol
Exact Mass288.12
IUPAC Nametert-butyl 3-(3-fluorophenyl)-5-hydroxybenzoate
SMILESCC(C)(C)OC(=O)c1cc(O)cc(-c2cccc(F)c2)c1
InChIInChI=1S/C17H17FO3/c1-17(2,3)21-16(20)13-7-12(9-15(19)10-13)11-5-4-6-14(18)8-11/h4-10,19H,1-3H3
InChIKeyKMBXKXSCZIQMLE-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 azulene-5-carboxylate
CID 67371592
tert-butyl N-[3-(3-fluoro-5-hydroxyphenyl)phenyl]carbamate
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CID 172648442
tert-butyl 3,5-difluoro-4-hydroxybenzoate
CID 66762061
tert-butyl 3-(3-formylphenyl)benzoate
CID 155970467
tert-butyl 3-bromo-5-(3-formylphenyl)benzoate
CID 170794854
tert-butyl 3-[3-(bromomethyl)phenyl]benzoate
CID 10688979
3-hydroxy-5-(3-methylsulfanylphenyl)benzoic acid
CID 53226391
tert-butyl (3R)-3-[3-(3-fluorophenyl)benzoyl]oxypyrrolidine-1-carboxylate
CID 149359245
tert-butyl N-[4-(3-fluorophenyl)-2-pyridinyl]carbamate
CID 173186178
methyl 3-(3-hydroxy-5-methoxycarbonylphenyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 56973175
tert-butyl 2-(3-fluorophenyl)indole-1-carboxylate
CID 154706702

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(3-fluorophenyl)-5-hydroxybenzoate?
The IUPAC name of tert-butyl 3-(3-fluorophenyl)-5-hydroxybenzoate (CID 67339884) is tert-butyl 3-(3-fluorophenyl)-5-hydroxybenzoate.
What is the SMILES notation for tert-butyl 3-(3-fluorophenyl)-5-hydroxybenzoate?
The canonical SMILES for tert-butyl 3-(3-fluorophenyl)-5-hydroxybenzoate is CC(C)(C)OC(=O)c1cc(O)cc(-c2cccc(F)c2)c1.
What is the InChIKey of tert-butyl 3-(3-fluorophenyl)-5-hydroxybenzoate?
The InChIKey is KMBXKXSCZIQMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO3/c1-17(2,3)21-16(20)13-7-12(9-15(19)10-13)11-5-4-6-14(18)8-11/h4-10,19H,1-3H3.
What are the key properties of tert-butyl 3-(3-fluorophenyl)-5-hydroxybenzoate?
tert-butyl 3-(3-fluorophenyl)-5-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 3-(3-fluorophenyl)-5-hydroxybenzoate is sourced from PubChem (CID 67339884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).